SCHEMBL684035

SCHEMBL684035

CCOc1nc2cccc(C(=O)OCOC(C)=O)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.75
ABCB11 O95342 1/20 0.55
EGFR P00533 1/20 0.55
ERBB2 P04626 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2C9 P11712 1/20 0.55
ADRB3 P13945 1/20 0.55
ADRA2B P18089 1/20 0.55
SLC6A2 P23975 1/20 0.55
TBXAS1 P24557 1/20 0.55
HTR2C P28335 1/20 0.55
AGTR1 P30556 1/20 0.55
PPARG P37231 1/20 0.55
HTR2B P41595 1/20 0.55
PDE3A Q14432 1/20 0.55
LTB4R2 Q9NPC1 1/20 0.55

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
SCHEMBL18087850 0.94 AGTR2 (0.75) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL19133020 0.94 AGTR2 (0.75) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL28653349 0.93 AGTR2 (0.82) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL30206762 0.93 AGTR2 (0.82) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL30539216 0.93 AGTR2 (0.82) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL18087851 0.92 AGTR2 (0.72) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL18087855 0.91 AGTR2 (0.70) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL965217 0.90 AGTR2 (0.75) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL13281316 0.89 AGTR2 (0.74) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL7017897 0.89 AGTR2 (0.59) AGTR2ABCB11EGFRERBB2CYP3A4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119715-B1 Benzimidazole derivative and its use as AII receptor antagonist TAKEDA PHARMACEUTICAL (JP) 2012-05-30 EP disclosed
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-7875637-B2 improving insulin resistance with azilsartan medoxomil, aka (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylate; combination therapy with other antidiabetic agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-25 US disclosed
EP-2119715-A1 Benzimidazole derivative and its use as aii receptor antagonist Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
US-20090270464-A1 Benzimidazole derivative and use as a II receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
US-7572920-B2 Benzimidazole derivative and use as a II receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-11 US disclosed
EP-1718641-B1 BENZIMIDAZOLE DERIVATIVE AND ITS USE AS A II RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2007-08-15 EP disclosed
US-7157584-B2 Benzimidazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-02 US disclosed
US-20060281795-A1 Benzinidazole Derivative and Use As AII Receptor Antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-12-14 US disclosed
EP-1718641-A2 BENZIMIDAZOLE DERIVATIVE AND ITS USE AS AII RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2006-11-08 EP disclosed
WO-2005080384-A2 BENZIMIDAZOLE DERIVATIVE AND USE AS AII RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-01 WO disclosed
US-20050187269-A1 Benzimidazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2005-08-25 US 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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 AGTR2 2610/4885ABCB11 4659/4885EGFR 2001/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR2 9/4885ABCB11 4566/4885EGFR 879/4885
US-20060281795-A1 Benzinidazole Derivative and Use As AII Receptor Antagonist AGTR1, AGTR2, GPR119 AGTR2 2/4885ABCB11 435/4885EGFR 1390/4885
US-20050187269-A1 Benzimidazole derivative and use thereof REN, H1-3, GPR119 AGTR2 40/4885ABCB11 158/4885EGFR 2761/4885
US-20090270464-A1 Benzimidazole derivative and use as a II receptor antagonist AGTR1, BDKRB1, GPR119 AGTR2 6/4885ABCB11 525/4885EGFR 572/4885

“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.