SCHEMBL683294

SCHEMBL683294

CCOc1nc2cccc(C(=O)OCOC(=O)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.61
CYP3A4 P08684 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
ADRA2B P18089 2/20 0.61
SLC6A2 P23975 2/20 0.61
AGTR1 P30556 2/20 0.61
PPARG P37231 2/20 0.61
HTR2B P41595 2/20 0.61
PDE3A Q14432 2/20 0.61
ABCB11 O95342 1/20 0.61
EGFR P00533 1/20 0.61
ERBB2 P04626 1/20 0.61
CYP2C9 P11712 1/20 0.61
ADRB3 P13945 1/20 0.61
TBXAS1 P24557 1/20 0.61
HTR2C P28335 1/20 0.61
LTB4R2 Q9NPC1 1/20 0.61
NAE1 Q13564 4/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 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
SCHEMBL684004 0.93 AGTR2 (0.58) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL683999 0.93 AGTR2 (0.60) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL683298 0.92 AGTR2 (0.62) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL684008 0.92 AGTR2 (0.56) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL683341 0.92 AGTR2 (0.56) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL166867 0.91 AGTR2 (0.56) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL2196805 0.90 AGTR2 (0.59) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL16252513 0.90 AGTR2 (0.56) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL3978908 0.89 AGTR2 (0.54) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL3978905 0.89 AGTR2 (0.54) 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 11 patents. 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-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-20050131039-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-06-16 US disclosed
EP-0668272-B1 A process for the production of tetrazolyl compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-07-12 EP 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-0668272-A2 A process for the production of tetrazolyl compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-23 EP 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

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 AGTR2 3/4885CYP3A4 1603/4885ADORA3 1145/4885
US-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 AGTR2 2490/4885CYP3A4 50/4885ADORA3 2356/4885
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 AGTR2 2610/4885CYP3A4 4851/4885ADORA3 602/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR2 9/4885CYP3A4 4777/4885ADORA3 780/4885

“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.