SCHEMBL3712686

SCHEMBL3712686

CCCc1nc2cc(C(=O)O)cc(C)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.51
AGTR1 P30556 2/20 0.51
AGTR2 P50052 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
SCHEMBL3640446 0.87 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL13814577 0.85 AGTR1 (0.48) AGTR1
SCHEMBL7891164 0.84 AGTR1 (0.47) AGTR1
SCHEMBL9193754 0.84 PPARG (0.60) PPARG
SCHEMBL9197830 0.82 AGTR2 (0.57) AGTR1AGTR2
SCHEMBL3642622 0.82 PPARG (0.56) PPARGAGTR1AGTR2
SCHEMBL8789876 0.82 AGTR1 (0.58) PPARGAGTR1AGTR2
SCHEMBL9192213 0.81 AGTR2 (0.58) AGTR1AGTR2
SCHEMBL7009704 0.81 PPARG (0.49) PPARGAGTR1AGTR2
SCHEMBL9197604 0.81 AGTR2 (0.54) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513432-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2013-08-20 US disclosed
US-20120238611-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-09-20 US disclosed
US-8212052-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2012-07-03 US disclosed
EP-2225210-A1 DUAL-ACTING BENZOIMIDAZOLE DERIVATIVE AND THEIR USE AS ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2010-09-08 EP disclosed
WO-2009076288-A1 DUAL-ACTING BENZOIMIDAZOLE DERIVATIVE AND THEIR USE AS ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-06-18 WO disclosed
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 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 (2 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-20120238611-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 PPARG 2104/4885AGTR1 1/4885AGTR2 3/4885
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 PPARG 2104/4885AGTR1 1/4885AGTR2 3/4885

“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.