SCHEMBL498030

SCHEMBL498030

CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.64
AGTR2 P50052 2/20 0.64
ABCB11 O95342 1/20 0.64
EGFR P00533 1/20 0.64
ERBB2 P04626 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CYP2C9 P11712 1/20 0.64
ADRB3 P13945 1/20 0.64
ADRA2B P18089 1/20 0.64
SLC6A2 P23975 1/20 0.64
TBXAS1 P24557 1/20 0.64
HTR2C P28335 1/20 0.64
PPARG P37231 1/20 0.64
HTR2B P41595 1/20 0.64
PDE3A Q14432 1/20 0.64
LTB4R2 Q9NPC1 1/20 0.64

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
SCHEMBL3429149 0.94 AGTR1 (0.57) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL3873571 0.94 AGTR2 (0.56) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL10108979 0.92 AGTR1 (0.66) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL9594207 0.91 AGTR1 (0.54) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL28915096 0.91 AGTR2 (0.54) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL8112903 0.89 AGTR2 (0.52) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL14573953 0.89 AGTR2 (0.49) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL8203606 0.88 AGTR1 (0.69) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL15478917 0.87 AGTR1 (0.68) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL5270410 0.87 AGTR1 (0.68) AGTR1AGTR2ABCB11EGFRERBB2

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247595-A1 Process for the preparation of tetrazolyl compounds MEDICHEM, S.A. (ES) 2009-10-01 US claimed
EP-1896455-A2 PROCESS FOR THE PREPARATION OF TETRAZOLYL COMPOUNDS Medichem, S.A. (ES) 2008-03-12 EP claimed
WO-2007074399-A2 PROCESS FOR THE PREPARATION OF TETRAZOLYL COMPOUNDS MEDICHEM, S.A. (US) 2007-07-05 WO claimed
US-7153972-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2006-12-26 US claimed
US-20050131039-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-06-16 US claimed
US-6844443-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LTD. (JP) 2005-01-18 US claimed
US-20040044223-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2004-03-04 US claimed
US-20020151723-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-10-17 US claimed
CN-112745302-A Benzimidazole compound and medical application thereof 上海中医药大学附属龙华医院 2021-05-04 CN disclosed
US-20180155326-A1 METHOD FOR PREPARING TRITYL CANDESARTAN ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2018-06-07 US disclosed
EP-2250168-B1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
EP-2413911-B1 PROGRESSIVE EMULSION CRYSTALLIZATION KRKA D D NOVO MESTO (SI) 2014-02-19 EP disclosed
EP-2121665-B1 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-22 EP disclosed
EP-2244575-B1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
EP-0459136-B1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-12-27 EP disclosed
EP-0720982-A1 Benzimidazole derivatives, their production and use and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-10 EP disclosed
US-5401764-A Hypotensive agents or cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-28 US disclosed
US-5328919-A Antagonist of Angiotensin for cardiovascular disorders and hypotensive TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-07-12 US disclosed
US-5196444-A Angiotensin/II/ antagonists; hypotensive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-23 US disclosed
EP-0459136-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-12-04 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 (5 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-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 AGTR1 1906/4885AGTR2 2490/4885ABCB11 1224/4885
US-20040044223-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, H1-4 AGTR1 2302/4885AGTR2 2919/4885ABCB11 1312/4885
US-20090247595-A1 Process for the preparation of tetrazolyl compounds TLL1, TLL2, TPP1 AGTR1 4/4885AGTR2 6/4885ABCB11 3494/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 AGTR1 2191/4885AGTR2 2836/4885ABCB11 1237/4885
US-20180155326-A1 METHOD FOR PREPARING TRITYL CANDESARTAN ACE, REN, AGT AGTR1 4/4885AGTR2 6/4885ABCB11 3117/4885

“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.