SCHEMBL2641004

SCHEMBL2641004

Cc1cc(-c2nc(-c3ccc(C(C)(C)F)cc3)no2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 9/20 0.48
TP53 P04637 5/20 0.48
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.48
POLB P06746 3/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
S1PR1 P21453 3/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL2640759 0.91 LMNA (0.59) NPC1RAB9AALDH1A1MAPTTP53
SCHEMBL516209 0.90 NPC1 (0.50) NPC1RAB9AALDH1A1MAPTTP53
SCHEMBL2360618 0.90 NPC1 (0.65) NPC1RAB9AALDH1A1MAPTTP53
SCHEMBL2640808 0.84 MAPT (0.52) NPC1RAB9AALDH1A1MAPTTP53
SCHEMBL516913 0.82 MAPT (0.53) NPC1RAB9AALDH1A1MAPTTP53
SCHEMBL516677 0.82 MAPT (0.46) NPC1RAB9AALDH1A1MAPTTP53
SCHEMBL2640833 0.81 MAPT (0.45) NPC1RAB9AALDH1A1MAPTTP53
SCHEMBL2640845 0.81 MAPT (0.49) NPC1RAB9AALDH1A1MAPTTP53
SCHEMBL12185175 0.80 MAPT (0.42) NPC1RAB9AALDH1A1MAPTTP53
SCHEMBL516813 0.80 ALOX5AP (0.48) NPC1RAB9AALDH1A1MAPTTP53

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
US-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
EP-2569309-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES Bayer Intellectual Property GmbH (DE) 2013-03-20 EP disclosed
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 US disclosed
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 US disclosed
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 US disclosed
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 US disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054762-A1 AMINOALKYL-SUBSTITUTED COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2008141731-A2 INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE AG (DE) 2008-11-27 WO 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 (4 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-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL NPC1 1261/4885RAB9A 4372/4885ALDH1A1 604/4885
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use VHL, HIF1AN, HIF1A NPC1 773/4885RAB9A 3733/4885ALDH1A1 297/4885
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS FLT4, VEGFA, MKI67 NPC1 1028/4885RAB9A 1563/4885ALDH1A1 1552/4885
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS HIF1AN, HIF1A, VHL NPC1 1242/4885RAB9A 3911/4885ALDH1A1 435/4885

“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.