SCHEMBL682491

SCHEMBL682491

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 4/20 0.60
AGTR2 P50052 3/20 0.60
CYP3A4 P08684 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
ADRA2B P18089 2/20 0.60
SLC6A2 P23975 2/20 0.60
AGTR1 P30556 2/20 0.60
PPARG P37231 2/20 0.60
HTR2B P41595 2/20 0.60
PDE3A Q14432 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
MLNR O43193 1/20 0.60
NR1I2 O75469 1/20 0.60
USP2 O75604 1/20 0.60
ESR1 P03372 1/20 0.60
NR3C1 P04150 1/20 0.60
TP53 P04637 1/20 0.60
PGR P06401 1/20 0.60
ADRB2 P07550 1/20 0.60

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
SCHEMBL684007 0.93 NAE1 (0.62) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL683350 0.93 NAE1 (0.62) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL10021558 0.92 AGTR2 (0.59) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL4877342 0.92 AGTR2 (0.58) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL14544772 0.90 AGTR2 (0.60) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL1653406 0.88 AGTR2 (0.62) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL683298 0.88 AGTR2 (0.62) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL13302628 0.88 AGTR2 (0.63) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL683999 0.88 AGTR2 (0.60) NAE1AGTR2CYP3A4ADORA3ADRA2B
Candesartan Cilexetil SCHEMBL3968703 0.88 NAE1 (0.79) NAE1AGTR2CYP3A4ADORA3ADRA2B

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 32 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-5401764-A Hypotensive agents or cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-28 US claimed
EP-0459136-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-12-04 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
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
US-5401764-A Hypotensive agents or cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-28 US disclosed
US-5401764-A Hypotensive agents or cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-28 US 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 NAE1 1577/4885AGTR2 3/4885CYP3A4 1603/4885
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 NAE1 4284/4885AGTR2 2610/4885CYP3A4 4851/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF NAE1 3603/4885AGTR2 9/4885CYP3A4 4777/4885
US-20010047020-A1 Benzimidazole derivatives, their production and use REN, AGTR1, H1-3 NAE1 823/4885AGTR2 11/4885CYP3A4 270/4885

“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.