SCHEMBL4020432

SCHEMBL4020432

CN(CCN1C[C@H](C(=O)c2cccc(O)c2)[C@H](c2cccc(Cl)c2F)[C@@H](c2[c]cccc2O)C1)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
KDM1A O60341 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4029050 0.93 KCNH2 (0.34) KCNH2MCHR1KDM1A
SCHEMBL4019903 0.92 KDM1A (0.31) KCNH2MCHR1KDM1A
SCHEMBL4022340 0.89 KDM1A (0.31) KCNH2MCHR1KDM1A
SCHEMBL4027285 0.88 MEN1 (0.35) KCNH2MCHR1KDM1AMEN1MAPK1
SCHEMBL4774673 0.83
SCHEMBL4020283 0.79 KDM1A (0.34) KCNH2MCHR1KDM1A
SCHEMBL4028045 0.76 OPRM1 (0.35) KCNH2MCHR1KDM1AMEN1MAPK1
SCHEMBL13721487 0.76 OPRM1 (0.35) KCNH2MCHR1KDM1AMEN1MAPK1
SCHEMBL4028041 0.76 OPRM1 (0.35) KCNH2MCHR1KDM1AMEN1MAPK1
SCHEMBL4774163 0.76 KDM2B (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 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 (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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 KCNH2 3099/4885MCHR1 3670/4885KDM1A 3938/4885

“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.