SCHEMBL224231

SCHEMBL224231

[c]1ncccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
MAPK14 Q16539 1/20 0.46
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAOB P27338 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2066669 0.85 TSHR (0.42) LTA4HMAPK14CYP3A4TSHRLMNA
SCHEMBL2067706 0.84 TSHR (0.41) LTA4HMAPK14TSHRLMNAKDM4E
SCHEMBL5759995 0.79 KDM4E (0.31) KDM4EALDH1A1MAPTABCB1
SCHEMBL5760956 0.79 SMN1; SMN2 (0.44) CYP3A4LMNACYP1A2KDM4EALDH1A1
SCHEMBL2066668 0.76 HTT (0.33) LTA4HMAPK14TSHRLMNACYP1A2
SCHEMBL1544006 0.75
SCHEMBL1036211 0.75
SCHEMBL19171884 0.75
SCHEMBL3058689 0.74 MAPT (0.50) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL2921924 0.74 LTA4H (0.46) LTA4HMAPK14CYP3A4TSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 73 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 US claimed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US claimed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
JP-2007518823-A 2007-07-12 JP claimed
JP-2007518824-A 2007-07-12 JP claimed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US claimed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP claimed
EP-1711495-A2 QUINOLINE, QUINAZOLINE, PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2006-10-18 EP claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO claimed
US-20050245547-A1 6-((6,7-Bis(methoxy)-4-quinolinyl)oxy)-N-(3-methylphenyl)-1-benzofuran-3-carboxamide;antiproliferative; -metastasis; -carcinogenic; -tumor; -inflammatory; -arthritic agents;hypotensive agents; myocardium necrosis; rheumatic diseases; tyrosine kinase inhibitors; antiallergens; asthma AMGEN INC. 2005-11-03 US claimed
WO-2005073224-A2 QUINOLINE QUINAZOLINE PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION ANGIOGENESIS AND CANCER AMGEN INC (US) 2005-08-11 WO claimed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO claimed
CN-1020902-C IMIDAZOLE DERIVATIVE AND PROCESSES FOR PREPARING SAME TANAHBE SEIYAKU CO LTD (JP) 1993-05-26 CN claimed
US-5053417-A Antiulcer agents TANABE SEIYAKU CO., LTD. (JP) 1991-10-01 US claimed
US-5002945-A Antiulcer agents TANABE SEIYAKU CO. LTD. (JP) 1991-03-26 US claimed
US-4996217-A Antiulcer agents TANABE SEIYAKU COMPANY, LTD. (JP) 1991-02-26 US claimed
CN-87108111-A Novel imidazole derivative and preparation method thereof 1988-09-28 CN claimed
EP-0270091-A1 Imidazole derivatives, processes for the preparation of the same, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments of therapeutic value, and intermediates formed during said processes TANABE SEIYAKU CO., LTD. (JP) 1988-06-08 EP claimed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US disclosed
EP-2307023-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-04-13 EP disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 US disclosed
WO-2009117659-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-7157442-B2 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2007-01-02 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
EP-1711495-A2 QUINOLINE, QUINAZOLINE, PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2006-10-18 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO disclosed
US-20050245547-A1 6-((6,7-Bis(methoxy)-4-quinolinyl)oxy)-N-(3-methylphenyl)-1-benzofuran-3-carboxamide;antiproliferative; -metastasis; -carcinogenic; -tumor; -inflammatory; -arthritic agents;hypotensive agents; myocardium necrosis; rheumatic diseases; tyrosine kinase inhibitors; antiallergens; asthma AMGEN INC. 2005-11-03 US disclosed
WO-2005073224-A2 QUINOLINE QUINAZOLINE PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION ANGIOGENESIS AND CANCER AMGEN INC (US) 2005-08-11 WO disclosed
US-20050171306-A1 Transition metal compound, coordinative compound, catalyst for polymerization of olefin, and process for polymerization of olefin using the catalyst TOSOH CORPORATION (JP) 2005-08-04 US disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed
US-6919292-B2 Transition metal compound, coordinative compound, catalyst for polymerization of olefin, and process for polymerization of olefin using the catalyst TOSOH CORPORATION (JP) 2005-07-19 US disclosed
CN-1185217-C Propanolamine derivatives, processes for their preparation, pharmaceuticals comprising these compounds, and their use AVENTIS PHARMA GMBH (DE) 2005-01-19 CN disclosed
CN-1176936-C Carbamycin derivatives and pharmaceutical compositions containing the same ������������ʽ���� 2004-11-24 CN disclosed
EP-1209166-B1 NOVEL A-500359 DERIVATIVES SANKYO CO (JP) 2004-03-31 EP disclosed
US-20030171330-A1 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2003-09-11 US disclosed
CN-1382152-A Novel A-500359 derivatives SANKYO CO (JP) 2002-11-27 CN disclosed
US-20020120160-A1 Transition metal compound, coordinative compound, catalyst for polymerization of olefin, and process for polymerization of olefin using the catalyst TOSOH CORPORATION (JP) 2002-08-29 US disclosed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 EP disclosed
WO-1999064418-A1 ARYL PYRIDINYL THIAZOLES NOVARTIS AG (CH) 1999-12-16 WO disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5874451-A HYPOLIPIDEMIC AGENTS HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 1999-02-23 US disclosed
CN-1199731-A Propanolamine derivatives, processes for their preparation, pharmaceuticals comprising these compounds, and their use HOECHST MARION ROUSSEL DE GMBH (DE) 1998-11-25 CN disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP disclosed
EP-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP disclosed
US-4889868-A Bis-imidazolinoamino derivatives as antiallergy compounds RORER PHARMACEUTICAL CORPORATION (US) 1989-12-26 US disclosed
US-4728668-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-03-01 US disclosed
US-4725619-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-02-16 US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed
US-4631287-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORP. (US) 1986-12-23 US disclosed
EP-0187989-A1 Bis-imidazolinoamino derivatives as useful antiallergy compounds USV PHARMACEUTICAL CORPORATION (US) 1986-07-23 EP disclosed
US-4588737-A Antiallergic bis-imidazolinoamino derivatives USV PHARMACEUTICAL CORP. (US) 1986-05-13 US disclosed
US-4588737-A Antiallergic bis-imidazolinoamino derivatives USV PHARMACEUTICAL CORP. (US) 1986-05-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP LTA4H 755/4885MAPK14 4073/4885CYP3A4 470/4885
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 LTA4H 1399/4885MAPK14 3534/4885CYP3A4 2281/4885
US-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET LTA4H 715/4885MAPK14 1944/4885CYP3A4 348/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET LTA4H 715/4885MAPK14 1944/4885CYP3A4 348/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP LTA4H 867/4885MAPK14 4064/4885CYP3A4 591/4885
US-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 LTA4H 2837/4885MAPK14 1488/4885CYP3A4 1276/4885
US-20050171306-A1 Transition metal compound, coordinative compound, catalyst for polymerization of olefin, and process for polymerization of olefin using the catalyst PORCN, FDFT1, CPNE4 LTA4H 2787/4885MAPK14 1319/4885CYP3A4 427/4885
US-20050245547-A1 6-((6,7-Bis(methoxy)-4-quinolinyl)oxy)-N-(3-methylphenyl)-1-benzofuran-3-carboxamide;antiproliferative; -metastasis; -carcinogenic; -tumor; -inflammatory; -arthritic agents;hypotensive agents; myocardium necrosis; rheumatic diseases; tyrosine kinase inhibitors; antiallergens; asthma HGF, MET, HGFAC LTA4H 1193/4885MAPK14 107/4885CYP3A4 1110/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP LTA4H 755/4885MAPK14 4073/4885CYP3A4 470/4885
US-20020120160-A1 Transition metal compound, coordinative compound, catalyst for polymerization of olefin, and process for polymerization of olefin using the catalyst PORCN, FDFT1, CPNE4 LTA4H 2787/4885MAPK14 1319/4885CYP3A4 427/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP LTA4H 755/4885MAPK14 4073/4885CYP3A4 470/4885
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 LTA4H 1399/4885MAPK14 3534/4885CYP3A4 2281/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.