SCHEMBL16731561

SCHEMBL16731561

COc1cccc([C@H](C)NC(=O)c2ccc3c(c2)nc(C)n3Cc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.72
ROCK2 O75116 2/20 0.55
ROCK1 Q13464 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PRKG1 Q13976 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
SCHEMBL16731559 0.93 PPARG (0.70) PPARGROCK2ROCK1CYP3A4CYP2D6
SCHEMBL16731519 0.90 PPARG (0.72) PPARG
SCHEMBL16731528 0.87 PPARG (0.72) PPARG
SCHEMBL15992300 0.86 PPARG (0.62) PPARG
SCHEMBL15992298 0.86 PPARG (0.62) PPARG
SCHEMBL16731560 0.86 PPARG (0.67) PPARG
SCHEMBL16731530 0.86 PPARG (0.58) PPARGROCK2ROCK1CYP3A4CYP2D6
SCHEMBL8022871 0.84 PPARG (0.64) PPARG
SCHEMBL14210873 0.84 PPARG (1.00) PPARG
SCHEMBL16731514 0.83 PPARG (0.68) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309227-B2 N-biphenylmethylbenzimidazole modulators of PPARG THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-12 US disclosed
US-20150141464-A1 N-BIPHENYLMETHYLBENZIMIDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2015-05-21 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 (1 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-20150141464-A1 N-BIPHENYLMETHYLBENZIMIDAZOLE MODULATORS OF PPARG CDK5, PPARG, CDK5R1 PPARG 2/4885ROCK2 2279/4885ROCK1 2144/4885

“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.