SCHEMBL906601

SCHEMBL906601

CCOc1nc2cccc(C(=O)OCOC(=O)C(C)(C)C)c2n1-c1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.41
CYP3A4 P08684 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADRA2B P18089 2/20 0.41
SLC6A2 P23975 2/20 0.41
AGTR1 P30556 2/20 0.41
PPARG P37231 2/20 0.41
HTR2B P41595 2/20 0.41
PDE3A Q14432 2/20 0.41
ABCB11 O95342 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADRB3 P13945 1/20 0.41
TBXAS1 P24557 1/20 0.41
HTR2C P28335 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
NAE1 Q13564 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL27631397 0.93 AGTR1 (0.40) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL166867 0.89 AGTR2 (0.56) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL4373827 0.85 ABCB11 (0.55) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL8502175 0.84 ALOX15 (0.34) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL6953505 0.83 AGTR1 (0.51) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL9197447 0.82
SCHEMBL9192379 0.81 PPARG (0.46) PPARG
SCHEMBL8635506 0.81 AGTR2 (0.32) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL3979280 0.81 AGTR2 (0.40) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL3975130 0.80 AGTR2 (0.42) AGTR2CYP3A4ADORA3ADRA2BSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538133-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-26 US claimed
US-20070259932-A1 angiotensin II antagonists; Hypotensive agents; cardiovascular disorders; reacting Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-mercaptobenzimidazole-7-carboxylic acid compound with alkylating agent TAKEDA PHARMACEUTICAL COMPANY, LIMITED 2007-11-08 US claimed
US-20010047020-A1 Benzimidazole derivatives, their production and use TAKEDA PHARAMCEUTICAL COMPANY, LIMITED (JP) 2001-11-29 US claimed
US-20120094913-A1 NOVEL PPAR LIGANDS THAT DO NOT CAUSE FLUID RETENTION, EDEMA OR CONGESTIVE HEART FAILURE BETHESDA PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20110046188-A1 COMPOSITIONS COMPRISING NOVEL PPAR LIGANDS AND ANTI-HYPERLIPEMIC AGENTS BETHESDA PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-7867991-B2 Compositions comprising novel PPAR ligands and anti-hyperlipemic agents BETHESDA PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
EP-1886683-B1 Novel PPAR ligands that do not cause fluid retention edema or congestive heart failure BETHESDA PHARMACEUTICALS INC (US) 2010-11-10 EP disclosed
US-7812046-B2 PPAR ligands that do not cause fluid retention, edema or congestive heart failure BETHESDA PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7538133-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-26 US disclosed
US-20080242712-A1 Identification and uses of novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure BETHESDA PHARMACEUTICALS (US) 2008-10-02 US disclosed
EP-1886683-A1 Novel PPAR ligands that do not cause fluid retention edema or congestive heart failure Bethesda Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed
US-20010047020-A1 Benzimidazole derivatives, their production and use TAKEDA PHARAMCEUTICAL COMPANY, LIMITED (JP) 2001-11-29 US disclosed
US-6232334-B1 HAVE POTENT ANGIOTENSIN II ANTAGONISTIC ACTIVITY AND ANTIHYPERTENSIVE ACTIVITY, FOR TREATING CIRCULATORY SYSTEM DISEASES SUCH AS HYPERTENSIVE DISEASES, HEART DISEASES, STROKES, CEREBRAL APOPLEXY AND NEPHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-15 US disclosed
US-6004989-A ETHYL 2-ETHOXY-1-(2'-1H-TETRAZOL-5-YL)BIPHENYL-4-YL)METHYL) BENZIMIDAZOLE-7-CARBOXYLATE AND SALTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-21 US disclosed
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US 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-5328919-A Antagonist of Angiotensin for cardiovascular disorders and hypotensive TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-07-12 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-20080242712-A1 Identification and uses of novel PPAR ligands that do not cause fluid retention, edema or congestive heart failure PPARA, PPARG, PPARD AGTR2 6/4885CYP3A4 3345/4885ADORA3 811/4885
US-20110046188-A1 COMPOSITIONS COMPRISING NOVEL PPAR LIGANDS AND ANTI-HYPERLIPEMIC AGENTS HDLBP, PPARA, PPARG AGTR2 8/4885CYP3A4 1642/4885ADORA3 1116/4885
US-20070259932-A1 angiotensin II antagonists; Hypotensive agents; cardiovascular disorders; reacting Ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-mercaptobenzimidazole-7-carboxylic acid compound with alkylating agent AGTR1, REN, AGTR2 AGTR2 3/4885CYP3A4 1603/4885ADORA3 1145/4885
US-20120094913-A1 NOVEL PPAR LIGANDS THAT DO NOT CAUSE FLUID RETENTION, EDEMA OR CONGESTIVE HEART FAILURE PPARA, PPARG, PPARD AGTR2 5/4885CYP3A4 3507/4885ADORA3 748/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 AGTR2 11/4885CYP3A4 270/4885ADORA3 1236/4885

“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.