SCHEMBL3233447

SCHEMBL3233447

CCCOc1ccc(C(=O)N[C@H](CCO)Cc2ccc(C(=O)CBr)cc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.44
TAS1R1 Q7RTX1 9/20 0.44
CSNK2A1 P68400 2/20 0.39
PPARG P37231 1/20 0.39
RAB9A P51151 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
CENPE Q02224 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3233445 0.87 CENPE (0.52) TAS1R3TAS1R1CSNK2A1PPARGRAB9A
SCHEMBL2617236 0.86 TAS1R3 (0.53) TAS1R3TAS1R1CSNK2A1PPARGRAB9A
SCHEMBL4774274 0.86 TAS1R3 (0.44) TAS1R3TAS1R1RAB9ACENPETHRB
SCHEMBL2630562 0.85 MAPT (0.47) TAS1R3TAS1R1CSNK2A1RAB9ACENPE
SCHEMBL3217194 0.83 L3MBTL1 (0.39) TAS1R3TAS1R1PPARGRAB9ACENPE
SCHEMBL10214857 0.82 F10 (0.41) TAS1R3TAS1R1PPARGCENPEPOLB
SCHEMBL4769873 0.82 SCD (0.45) PPARGRAB9ATHRBPOLBMEN1
SCHEMBL13644428 0.82 TAS1R3 (0.41) TAS1R3TAS1R1RAB9ACENPETHRB
SCHEMBL13183917 0.81 TAS1R3 (0.41) TAS1R3TAS1R1PPARGRAB9ANCOA3
SCHEMBL13456978 0.79 TAS1R3 (0.46) TAS1R3TAS1R1CSNK2A1PPARGRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US claimed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US claimed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 US claimed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 US disclosed
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO 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 (3 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 TAS1R3 4827/4885TAS1R1 4847/4885CSNK2A1 401/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 TAS1R3 4827/4885TAS1R1 4847/4885CSNK2A1 401/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 TAS1R3 4827/4885TAS1R1 4847/4885CSNK2A1 401/4885

“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.