SCHEMBL13643248

SCHEMBL13643248

CON(C)C(=O)c1nc(-c2ccc(C[C@H](C)CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)cn1C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CYP3A4 P08684 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13643247 0.88 PPARG (0.34) PPARGPPARACYP3A4HTTSMN1; SMN2
SCHEMBL2617422 0.87 ATM (0.38) CYP3A4
SCHEMBL13643251 0.81 FAAH (0.36) PPARGPPARA
SCHEMBL13643246 0.80 SMYD2 (0.32) PPARGPPARACYP3A4HTTSMN1; SMN2
SCHEMBL2617420 0.76 ATM (0.41) CYP3A4
SCHEMBL13430535 0.76 ATM (0.40) CYP3A4
SCHEMBL2617425 0.76 ATM (0.40) CYP3A4
SCHEMBL2617421 0.73 ADORA1 (0.38)
SCHEMBL5569920 0.73 SMYD2 (0.32) PPARGPPARACYP3A4HTTSMN1; SMN2
SCHEMBL3222983 0.72 ATM (0.39) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 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-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 PPARG 2756/4885PPARA 2973/4885CYP3A4 4782/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 PPARG 2510/4885PPARA 2821/4885CYP3A4 4769/4885

“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.