SCHEMBL813386

SCHEMBL813386

CCCc1nc2c(C)cc(-c3cn(C)cn3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 17/20 0.73
AGTR2 P50052 11/20 0.73
PPARG P37231 2/20 0.73
KDM4E B2RXH2 1/20 0.73
ABCC3 O15438 1/20 0.73
ABCC4 O15439 1/20 0.73
USP2 O75604 1/20 0.73
ABCB11 O95342 1/20 0.73
ALDH1A1 P00352 1/20 0.73
CHRM2 P08172 1/20 0.73
CYP3A4 P08684 1/20 0.73
ADRA2A P08913 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CHRM1 P11229 1/20 0.73
CYP2C9 P11712 1/20 0.73
ACE P12821 1/20 0.73
ADRA2C P18825 1/20 0.73
TBXA2R P21731 1/20 0.73
GLRA1 P23415 1/20 0.73
PDE4A P27815 1/20 0.73

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
SCHEMBL7303699 0.92 AGTR1 (0.70) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL7309298 0.91 AGTR1 (0.69) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL8847732 0.90 AGTR1 (0.69) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL8848170 0.90 AGTR1 (0.69) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL4596219 0.90 AGTR1 (0.59) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL7303618 0.90 AGTR1 (0.68) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL8874061 0.89 AGTR1 (0.59) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL7305267 0.89 AGTR1 (0.67) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL8847747 0.89 AGTR1 (0.59) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL7306802 0.89 AGTR1 (0.58) AGTR1AGTR2PPARGKDM4EABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552765-A1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-07-28 EP claimed
US-7968727-B2 Synthesis of 4-bromomethyl-2′-formylbiphenyl and 4-bromomethyl-2′-hydroxymethylbiphenyl and its use in preparation of angiotensin II antagonists LEK PHARMACEUTICALS, D.D. (SI) 2011-06-28 US disclosed
US-20090318521-A1 Synthesis of 4-Bromomethyl-2'-Formylbiphenyl and 4-Bromomethyl-2'-Hydroxymethylbiphenyl and Its Use in Preparation of Giotensin II Antagonists LEK PHARMACEUTICALS D.D. (SI) 2009-12-24 US disclosed
EP-1871764-A1 A SYNTHESIS OF 4-BROMOMETHYL-2'-FORMYLBIPHENYL AND 4-BROMOMETHYL-2'- HYDROXYMETHYLBIPHENYL AND ITS USE IN PREPARATION OF ANGIOTENSIN II ANTAGONISTS LEK Pharmaceuticals D.D. (SI) 2008-01-02 EP disclosed
WO-2006103068-A1 A SYNTHESIS OF 4-BROMOMETHYL-2'-FORMYLBIPHENYL AND 4-BROMOMETHYL-2'- HYDROXYMETHYLBIPHENYL AND ITS USE IN PREPARATION OF ANGIOTENSIN II ANTAGONISTS LEK PHARMACEUTICALS D.D. (SI) 2006-10-05 WO 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-0552765-B1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation THOMAE GMBH DR K (DE) 1996-08-14 EP disclosed
EP-0552765-A1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-07-28 EP 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 (1 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-20090318521-A1 Synthesis of 4-Bromomethyl-2'-Formylbiphenyl and 4-Bromomethyl-2'-Hydroxymethylbiphenyl and Its Use in Preparation of Giotensin II Antagonists GRK4, GRK2, GRK5 AGTR1 43/4885AGTR2 8/4885PPARG 3542/4885

“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.