SCHEMBL683359

SCHEMBL683359

COC(=O)c1cccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c12

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.57
PPARG P37231 3/20 0.56
AGTR1 P30556 2/20 0.53

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
SCHEMBL683639 0.92 AGTR2 (0.65) AGTR2PPARGAGTR1
SCHEMBL684047 0.90 PPARG (0.54) AGTR2PPARGAGTR1
SCHEMBL17424355 0.89 AGTR2 (0.60) AGTR2PPARG
SCHEMBL7011057 0.88 AGTR1 (0.46) AGTR2AGTR1
SCHEMBL683371 0.86 AGTR2 (0.78) AGTR2PPARGAGTR1
SCHEMBL13175977 0.86 PPARG (0.52) AGTR2PPARGAGTR1
Potassium SCHEMBL3033376 0.86 AGTR2 (0.77) AGTR2PPARGAGTR1
SCHEMBL2927273 0.86 AGTR2 (0.77) AGTR2PPARGAGTR1
SCHEMBL965217 0.85 AGTR2 (0.75) AGTR2PPARGAGTR1
SCHEMBL3804684 0.85 PPARG (0.54) PPARGAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172401-A1 BENZIMIDAZOLE DERIVATIVE AND USE AS ANGIOTENSIN II ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US disclosed
US-20120172401-A1 BENZIMIDAZOLE DERIVATIVE AND USE AS ANGIOTENSIN II ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
EP-1863801-B1 BENZIMIDAZOLE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-09-29 EP disclosed
US-20090054502-A1 Benzimidazole Derivative and Use as Angiotensin II Antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-02-26 US disclosed
US-20090054502-A1 Benzimidazole Derivative and Use as Angiotensin II Antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-02-26 US disclosed
EP-1863801-A2 BENZIMIDAZOLE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
WO-2006107062-A2 BENZIMIDAZOLE DERIVATIVE AND USE AS ANGIOTENSIN II ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-12 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-20120172401-A1 BENZIMIDAZOLE DERIVATIVE AND USE AS ANGIOTENSIN II ANTAGONIST AGTR2, AGTR1, ACE AGTR2 1/4885PPARG 1405/4885AGTR1 2/4885
US-20090054502-A1 Benzimidazole Derivative and Use as Angiotensin II Antagonist AGTR2, AGTR1, ACE AGTR2 1/4885PPARG 1405/4885AGTR1 2/4885
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 AGTR2 2610/4885PPARG 156/4885AGTR1 3252/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR2 9/4885PPARG 622/4885AGTR1 8/4885

“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.