SCHEMBL683312

SCHEMBL683312

COC(=O)c1cccc2nc(OC)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c12

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CYP2C9 P11712 1/20 0.51
ADRB3 P13945 1/20 0.51
ADRA2B P18089 1/20 0.51
SLC6A2 P23975 1/20 0.51
TBXAS1 P24557 1/20 0.51
HTR2C P28335 1/20 0.51
AGTR1 P30556 1/20 0.51
PPARG P37231 1/20 0.51
HTR2B P41595 1/20 0.51
AGTR2 P50052 1/20 0.51
PDE3A Q14432 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51

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
SCHEMBL1653406 0.92 AGTR2 (0.62) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL682490 0.92 AGTR2 (0.54) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL683619 0.92 ABCB11 (0.61) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL9200529 0.90
SCHEMBL3980496 0.90 AGTR2 (0.53) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL9194238 0.90
SCHEMBL3975946 0.89 AGTR2 (0.51) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL3976563 0.89 AGTR2 (0.51) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL9199882 0.89 ABCB11 (0.46) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL9198429 0.89

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 30 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
EP-0720982-B1 Benzimidazole derivatives, their production and use and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP claimed
US-20010047020-A1 Benzimidazole derivatives, their production and use TAKEDA PHARAMCEUTICAL COMPANY, LIMITED (JP) 2001-11-29 US claimed
EP-0720982-A1 Benzimidazole derivatives, their production and use and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-10 EP claimed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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
US-7538133-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-26 US disclosed
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 disclosed
US-7153972-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2006-12-26 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-5639773-A TREATING GLAUCOMA SENJU PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
US-5578733-A REACTION WITH MINERAL ACID IN THE PRESENCE OF ALCOHOL TO REMOVE PROTECTIVE GROUP TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-11-26 US 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
EP-0668272-A2 A process for the production of tetrazolyl compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-23 EP disclosed
WO-1995001176-A1 USE OF AN ANGIOTENSIN II ANTAGONIST AS AN OCULAR HYPOTENSIVE AGENT SENJU PHARMACEUTICAL CO., LTD. (JP) 1995-01-12 WO disclosed
EP-0631780-A1 Use of an angiotensin II antagonist as an ocular hypotensive agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-04 EP 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 (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-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 ABCB11 546/4885EGFR 3292/4885ERBB2 2454/4885
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 ABCB11 4659/4885EGFR 2001/4885ERBB2 1677/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ABCB11 4566/4885EGFR 879/4885ERBB2 1349/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 ABCB11 315/4885EGFR 3223/4885ERBB2 2651/4885

“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.