SCHEMBL16713344

SCHEMBL16713344

CCC(NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 20/20 0.69
▸ AGTR1 P30556 1/20 0.57
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ PPARA Q07869 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
SCHEMBL16713383 0.94 PPARG (0.59) PPARGAGTR1PPARA
SCHEMBL16713352 0.90 PPARG (0.76) PPARGAGTR1PPARA
SCHEMBL14977096 0.90 PPARG (0.76) PPARGAGTR1PPARA
SCHEMBL30300757 0.86 PPARG (0.81) PPARGAGTR1PPARA
SCHEMBL14121063 0.86 PPARG (0.81) PPARGAGTR1PPARA
SCHEMBL16713329 0.86 PPARG (0.49) PPARGAGTR1
SCHEMBL16713328 0.85 NR1H4 (0.51) PPARG
SCHEMBL16731516 0.85 PPARG (0.86) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30300648 0.85 PPARG (0.81) PPARGAGTR1PPARA
SCHEMBL16713333 0.85 BRD4 (0.49) 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 2/4885AGTR1 2139/4885CYP1A2 2898/4885

“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.

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