SCHEMBL2211997

SCHEMBL2211997

O=[N+]([O-])c1ccc(Cl)cc1Nc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
EPAS1 Q99814 6/20 0.55
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH3A1 P30838 1/20 0.51
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.49
MAPK1 P28482 4/20 0.49
TSHR P16473 1/20 0.49
MERTK Q12866 1/20 0.47
PKM P14618 2/20 0.46
TDP1 Q9NUW8 4/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL28738890 0.91 EPAS1 (0.55) L3MBTL1EPAS1ALDH1A1HTTRAB9A
SCHEMBL4930639 0.91 L3MBTL1 (0.62) L3MBTL1EPAS1ALDH1A1MAPTPOLB
SCHEMBL2503793 0.88 EPAS1 (0.66) L3MBTL1EPAS1ALDH1A1MAPTPOLB
SCHEMBL2508268 0.87 ALDH1A1 (0.59) L3MBTL1EPAS1ALDH1A1HTTRAB9A
SCHEMBL30378593 0.87 ALDH1A1 (0.59) L3MBTL1EPAS1ALDH1A1HTTRAB9A
SCHEMBL2324309 0.85 L3MBTL1 (0.56) L3MBTL1ALDH1A1HTTMAPTMAPK1
SCHEMBL4932746 0.85 MEN1 (0.63) L3MBTL1EPAS1ALDH1A1RAB9AMAPT
SCHEMBL3253899 0.84 L3MBTL1 (0.77) L3MBTL1EPAS1ALDH1A1MAPTPOLB
Hydrochloric Acid SCHEMBL11533078 0.84 MAPK1 (0.57) L3MBTL1EPAS1ALDH1A1MAPTPOLB
SCHEMBL8885999 0.82 MEN1 (0.57) L3MBTL1EPAS1ALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-1474415-B1 1-PHENYL-2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, THE USE THEREOF FOR PRODUCING DRUGS USED IN THE TREATMENT OF IMMUNOLOGICAL DISEASES BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-7683081-B2 1-phenyl-2-heteroaryl-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-23 US disclosed
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed
CN-1317274-C 1-phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2007-05-23 CN disclosed
US-20050267160-A1 1-Phenyl-2-heteroaryl-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-01 US disclosed
US-6962932-B2 1-phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-11-08 US disclosed
CN-1633429-A 1-phenyl-2-heteroaryl substituted benzimidazole derivatives, their use for the preparation of medicaments and pharmaceutical compositions containing them SCHERING AG (DE) 2005-06-29 CN disclosed
EP-1474415-A1 1-PHENYL-2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, THE USE THEREOF FOR PRODUCING DRUGS USED IN THE TREATMENT OF IMMUNOLOGICAL DISEASES Schering Aktiengesellschaft (DE) 2004-11-10 EP disclosed
US-20030229085-A1 1-Phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2003-12-11 US disclosed
WO-2003068766-A1 1-PHENYL-2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, THE USE THEREOF FOR PRODUCING DRUGS USED IN THE TREATMENT OF IMMUNOLOGICAL DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN L3MBTL1 3172/4885EPAS1 1068/4885ALDH1A1 2086/4885
US-20050267160-A1 1-Phenyl-2-heteroaryl-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives CD4, NFATC1, ICOS L3MBTL1 3290/4885EPAS1 1984/4885ALDH1A1 1382/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN L3MBTL1 3172/4885EPAS1 1068/4885ALDH1A1 2086/4885
US-20030229085-A1 1-Phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives CD4, ICOS, NFATC1 L3MBTL1 2419/4885EPAS1 2574/4885ALDH1A1 937/4885

“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.