SCHEMBL2890946

SCHEMBL2890946

Nc1ccc(OCCCN2CCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.61
KDM4E B2RXH2 6/20 0.55
LTA4H P09960 4/20 0.54
PTGS2 P35354 3/20 0.54
PTGS1 P23219 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.54
KCNH2 Q12809 1/20 0.52
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL16423999 0.99 HRH3 (0.60) HRH3KDM4ELTA4HPTGS2PTGS1
SCHEMBL22348748 0.94 LTA4H (0.62) HRH3KDM4ELTA4HPTGS2PTGS1
SCHEMBL2735456 0.92 KDM4E (0.63) HRH3KDM4ELTA4HPTGS2PTGS1
SCHEMBL214059 0.90 HRH3 (0.54) HRH3KDM4EMEN1KMT2AHTT
SCHEMBL1623288 0.87 KDM4E (0.62) HRH3KDM4ELTA4HPTGS2PTGS1
SCHEMBL16442149 0.86 HRH3 (0.52) HRH3KDM4EMEN1KMT2AKCNH2
SCHEMBL214731 0.85 KDM4E (0.51) HRH3KDM4ELTA4HPTGS2PTGS1
SCHEMBL14419427 0.85 KDM4E (0.64) HRH3KDM4ELTA4HPTGS2PTGS1
SCHEMBL216071 0.84 KDM4E (0.54) HRH3KDM4ELTA4HPTGS2PTGS1
SCHEMBL13320395 0.84 KDM4E (0.51) HRH3KDM4ELTA4HPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS AG (CH) 2014-10-09 US disclosed
EP-2762475-A1 Pharmaceutically acceptable salts of quinolinone compounds and their medical use Novartis Vaccines and Diagnostics, Inc. (US) 2014-08-06 EP disclosed
EP-1699421-B1 Lactate salts of quinolinone compounds and their pharmaceutical use NOVARTIS VACCINES & DIAGNOSTIC (US) 2014-05-21 EP disclosed
US-8614330-B2 Substituted benz-azoles and methods of their use as inhibitors of RAF kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-12-24 US disclosed
US-20130338171-A1 Pharmaceutically Acceptable Salts of Quinolinone Compounds Having Improved Pharmaceutical Properties NOVARTIS AG (CH) 2013-12-19 US disclosed
EP-2573079-A2 Benzimidazole quinolinones and uses thereof Novartis Vaccines and Diagnostics, Inc. (US) 2013-03-27 EP disclosed
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES CAI SHAOPEI (US) 2013-01-17 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
WO-2004018419-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF CHIRON CORPORATION (US) 2004-03-04 WO disclosed
US-20040006101-A1 Quinolinone derivatives CHIRON CORPORATION 2004-01-08 US disclosed
US-20040002518-A1 Heterocyclic compounds CHIRON CORPORATION 2004-01-01 US disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 US disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 WO disclosed
US-20030158224-A1 Quinolinone derivatives CHIRON CORPORATION 2003-08-21 US disclosed
US-6605617-B2 Treating a patient in need of an inhibitor of vascular endothelial growth factor receptor tyrosine kinase CHIRON CORPORATION 2003-08-12 US disclosed
US-20030028018-A1 Quinolinone derivatives CHIRON COPORATION 2003-02-06 US disclosed
US-20020107392-A1 Quinolinone derivatives NOVARTIS AG (CH) 2002-08-08 US disclosed
US-20020103230-A1 Heterocyclic compounds CHIRON CORPORATION 2002-08-01 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 (11 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-20020103230-A1 Heterocyclic compounds SLCO2A1, SLCO1B1, SLCO2B1 HRH3 552/4885KDM4E 4366/4885LTA4H 2872/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF HRH3 1327/4885KDM4E 1830/4885LTA4H 3987/4885
US-20030028018-A1 Quinolinone derivatives SLCO1B1, SLCO1B3, SLCO1A2 HRH3 1777/4885KDM4E 4627/4885LTA4H 2145/4885
US-20130338171-A1 Pharmaceutically Acceptable Salts of Quinolinone Compounds Having Improved Pharmaceutical Properties H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 HRH3 1162/4885KDM4E 3069/4885LTA4H 4378/4885
US-20030158224-A1 Quinolinone derivatives SLCO1B1, SLCO1B3, SLCO1A2 HRH3 1777/4885KDM4E 4627/4885LTA4H 2145/4885
US-20020107392-A1 Quinolinone derivatives SLCO1B1, SLCO1B3, SLCO1A2 HRH3 1777/4885KDM4E 4627/4885LTA4H 2145/4885
US-20040002518-A1 Heterocyclic compounds SLCO2A1, SLCO1B1, SLCO2B1 HRH3 552/4885KDM4E 4366/4885LTA4H 2872/4885
US-20040006101-A1 Quinolinone derivatives SLCO1B1, SLCO1B3, SLCO1A2 HRH3 1777/4885KDM4E 4627/4885LTA4H 2145/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 HRH3 1052/4885KDM4E 3618/4885LTA4H 2832/4885
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 HRH3 1162/4885KDM4E 3069/4885LTA4H 4378/4885
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 HRH3 1162/4885KDM4E 3069/4885LTA4H 4378/4885

“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.