SCHEMBL920521

SCHEMBL920521

[c]1ccc(Oc2ccc3ccccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ RCE1 Q9Y256 1/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ AGXT P21549 2/20 0.44
▸ HAO1 Q9UJM8 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ ALOX5 P09917 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL395026 0.84 CYP1A2 (0.64) GAARCE1CYP1A2CYP2A6MAOA
SCHEMBL29366638 0.84 CYP1A2 (0.64) GAARCE1CYP1A2CYP2A6MAOA
SCHEMBL4402154 0.82 LTA4H (0.60) GAARCE1CYP1A2CYP2A6MAOA
SCHEMBL29860094 0.82 LTA4H (0.60) GAARCE1CYP1A2CYP2A6MAOA
SCHEMBL29378143 0.82 CYP1A2 (0.61) GAARCE1CYP1A2CYP2A6MAOA
Hydrochloric Acid SCHEMBL9443225 0.82 CYP1A2 (0.61) GAARCE1CYP1A2CYP2A6MAOA
SCHEMBL1283523 0.82 CYP2A6 (0.52) CYP1A2CYP2A6MEN1KMT2AL3MBTL1
SCHEMBL1282680 0.80 ESR1 (0.48) CYP1A2MEN1KMT2ATDP1MAPT
SCHEMBL8535186 0.80 LTA4H (0.63) MAOAMAOBMEN1KMT2ACA1
SCHEMBL921885 0.79 GAA (0.44) GAARCE1CYP1A2CYP2A6MAOA

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 — — US claimed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 — — US claimed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 — — EP claimed
EP-1134215-B1 2-oxo-imidazolidine-4-carboxylic acid hydroxamine compounds that inhibit matrix metalloproteinases PFIZER PROD INC (US) 2004-10-06 — — EP claimed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 — — US claimed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 — — WO claimed
US-20020147224-A1 2-oxo-imidazolidine-4-carboxylic acid hydroxamide compounds that inhibit matrix metalloproteinases ROBINSON RALPH P (US) 2002-10-10 — — US claimed
US-6458822-B2 (4R)-1-(4-(4-FLUOROPHENOXY)BENZYL)-2-OXO-IMIDAZOLIDINE-4 -CARBOXYLIC ACID HYDROXYAMIDE, FOR EXAMPLE; TREATING VARIOUS DISEASES INCLUDING OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, CANCER, OSTEOPOROSIS, STROKES PFIZER INC. 2002-10-01 — — US claimed
US-20010041710-A1 2-oxo-imidazolidine-4-carboxylic acid hydroxamide compounds that inhibit matrix metalloproteinases PFIZER PRODUCTS INC. 2001-11-15 — — US claimed
EP-1134215-A1 2-oxo-imidazolidine-4-carboxylic acid hydroxamine compounds that inhibit matrix metalloproteinases Pfizer Products Inc. (US) 2001-09-19 — — EP claimed
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 — — US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 — — US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 — — EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 — — US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 — — EP disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 — — EP disclosed
CN-1127506-A Method of alkylating triazine derivative NISSAN CHEMICAL IND LTD (JP) 1996-07-24 — — CN disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 — — EP disclosed
EP-0001804-B1 BETA-NAPHTHYL- AND BETA-TETRAHYDRONAPHTHYLPHENYL ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-19 — — EP disclosed
EP-0001804-A1 Beta-naphthyl- and beta-tetrahydronaphthylphenyl ethers, process for their preparation and their use as herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-16 — — EP 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 (7 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-20020147224-A1 2-oxo-imidazolidine-4-carboxylic acid hydroxamide compounds that inhibit matrix metalloproteinases MMP1, MMP8, MMP13 GAA 429/4885RCE1 127/4885CYP1A2 581/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B GAA 1518/4885RCE1 2266/4885CYP1A2 2380/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 GAA 3332/4885RCE1 1619/4885CYP1A2 2625/4885
US-20010041710-A1 2-oxo-imidazolidine-4-carboxylic acid hydroxamide compounds that inhibit matrix metalloproteinases MMP1, MMP8, MMP13 GAA 429/4885RCE1 127/4885CYP1A2 581/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 GAA 2649/4885RCE1 1897/4885CYP1A2 2061/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B GAA 1346/4885RCE1 2305/4885CYP1A2 2396/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B GAA 1346/4885RCE1 2305/4885CYP1A2 2396/4885

“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.

Send feedback