SCHEMBL2103625

SCHEMBL2103625

CNC(=O)N(Cc1cccc(OCc2ccccc2)c1)NC(=O)c1ccc(OC(C)C)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.48
CENPE Q02224 1/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMPD1 P17405 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ESR2 Q92731 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR132 Q9UNW8 1/20 0.40
EPOR P19235 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39

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
SCHEMBL2103273 0.92 CENPE (0.50) PTGESCENPEKMT2AMEN1MAPT
SCHEMBL13162513 0.89 CENPE (0.55) CENPEHDAC1HDAC8HDAC6KMT2A
SCHEMBL2104713 0.88 CENPE (0.48) CENPEHDAC1HDAC8HDAC6SMPD1
SCHEMBL14031509 0.88 CENPE (0.50) CENPEHDAC1HDAC8HDAC6KMT2A
SCHEMBL2106356 0.86 SPHK2 (0.44) CENPEKMT2AMEN1USP2MAPT
SCHEMBL4720150 0.86 PTGES (0.46) PTGESCENPEHDAC1HDAC8HDAC6
SCHEMBL4720148 0.84 PTGES (0.52) PTGESCENPEHDAC1HDAC8HDAC6
SCHEMBL2103268 0.84 CENPE (0.56) CENPEHDAC1HDAC8HDAC6SMPD1
SCHEMBL2103976 0.82 SPHK2 (0.46) CENPEKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2104733 0.81 CENPE (0.56) CENPEHDAC1HDAC8HDAC6KMT2A

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 43 patents — showing the first 20. 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
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP claimed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US claimed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 US claimed
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
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-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
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US 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
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 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 (6 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 PTGES 4083/4885CENPE 54/4885HDAC1 484/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 PTGES 4083/4885CENPE 54/4885HDAC1 484/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 PTGES 4083/4885CENPE 54/4885HDAC1 484/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 PTGES 4083/4885CENPE 54/4885HDAC1 484/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 PTGES 4014/4885CENPE 50/4885HDAC1 406/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 PTGES 4083/4885CENPE 54/4885HDAC1 484/4885

“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.