SCHEMBL4021692

SCHEMBL4021692

Cc1cccc([C@@H]2[C@@H](C(=O)c3cccc(F)c3)CN(CCN(C)C)C[C@H]2C(=O)c2cccc(F)c2)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.34
KIF11 P52732 1/20 0.34
ACKR3 P25106 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.34
ESRRG P62508 1/20 0.33

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
SCHEMBL4026452 0.89 ALDH1A1 (0.40) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL4780097 0.89 KIF11 (0.41) ALDH1A1KIF11KDM4E
SCHEMBL4028159 0.88 ALDH1A1 (0.39) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL4022948 0.87 ALDH1A1 (0.39) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL4022953 0.87 ALDH1A1 (0.39) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL4021786 0.85 ALDH1A1 (0.42) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL4022116 0.84 CYP2C9 (0.41) ALDH1A1GAAKMT2AMEN1CYP2C9
SCHEMBL4752782 0.83 KIF11 (0.42) KIF11
SCHEMBL4029041 0.83 KDM4E (0.38) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL4752779 0.83 KIF11 (0.42) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
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 ALDH1A1 258/4885GAA 350/4885KMT2A 2820/4885

“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.