SCHEMBL13643247

SCHEMBL13643247

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
SMYD2 Q9NRG4 2/20 0.33
DHODH Q02127 1/20 0.32
SCN9A Q15858 2/20 0.32
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
PSMB5 P28074 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALK Q9UM73 1/20 0.30
TPH1 P17752 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
SCHEMBL13643248 0.88 PPARG (0.32) PPARGPPARACYP3A4HTTSMN1; SMN2
SCHEMBL2617425 0.85 ATM (0.40) SCN9ACYP3A4
SCHEMBL13430535 0.85 ATM (0.40) SCN9ACYP3A4
SCHEMBL13643246 0.84 SMYD2 (0.32) PPARGPPARASMYD2CYP3A4HTT
SCHEMBL2617420 0.79 ATM (0.41) SCN9ACYP3A4
SCHEMBL13643253 0.78 DHODH (0.33) PPARGPPARADHODHSCN9A
SCHEMBL5569920 0.77 SMYD2 (0.32) PPARGPPARASMYD2CYP3A4HTT
SCHEMBL2617421 0.76 ADORA1 (0.38) SCN9A
SCHEMBL2617422 0.75 ATM (0.38) SCN9ACYP3A4
SCHEMBL13627141 0.72 ATM (0.42) PPARGPPARASCN9A

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 2973/4885SMYD2 1583/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 PPARG 2510/4885PPARA 2821/4885SMYD2 1661/4885

“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.