SCHEMBL683383

SCHEMBL683383

CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.69
PPARG P37231 2/20 0.69
AGTR2 P50052 2/20 0.69
KDM4E B2RXH2 1/20 0.69
ABCC3 O15438 1/20 0.69
ABCC4 O15439 1/20 0.69
USP2 O75604 1/20 0.69
ABCB11 O95342 1/20 0.69
ALDH1A1 P00352 1/20 0.69
CHRM2 P08172 1/20 0.69
CYP3A4 P08684 1/20 0.69
ADRA2A P08913 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
CHRM1 P11229 1/20 0.69
CYP2C9 P11712 1/20 0.69
ACE P12821 1/20 0.69
ADRA2C P18825 1/20 0.69
TBXA2R P21731 1/20 0.69
GLRA1 P23415 1/20 0.69
PDE4A P27815 1/20 0.69

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
SCHEMBL683758 0.95 AGTR1 (0.63) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL682589 0.93 PPARG (0.59) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL7305914 0.92 PPARG (0.61) AGTR1PPARGAGTR2KDM4EABCC3
Hydrochloric Acid SCHEMBL7305587 0.92 PPARG (0.59) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL682608 0.92 AGTR1 (0.58) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL8789432 0.90 PPARG (0.55) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL683386 0.90 AGTR1 (0.57) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL7303061 0.90 PPARG (0.57) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL7303520 0.89 AGTR1 (0.55) AGTR1PPARGAGTR2KDM4EABCC3
SCHEMBL14855310 0.88 AGTR1 (0.56) AGTR1PPARGAGTR2KDM4EABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502314-B1 Benzimidazol derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-05-20 EP claimed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US claimed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP claimed
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-0502314-B1 Benzimidazol derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-05-20 EP disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 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 (2 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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 AGTR1 3252/4885PPARG 156/4885AGTR2 2610/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR1 8/4885PPARG 622/4885AGTR2 9/4885

“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.