SCHEMBL4022795

SCHEMBL4022795

COc1cccc(C(=O)[C@H]2CN(C(C)=O)C[C@H](C(=O)c3cccc(OC)c3)C2c2cccc(F)c2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD11B1 P28845 1/20 0.43
KDM2B Q8NHM5 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 2/20 0.39
MGLL Q99685 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GFER P55789 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4022793 1.00 KMT2A (0.43) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4751581 0.92 KMT2A (0.46) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4751579 0.92 KMT2A (0.46) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4751582 0.92 KMT2A (0.46) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4022254 0.91 SMN1; SMN2 (0.45) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4022259 0.91 SMN1; SMN2 (0.45) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL13721371 0.91 SMN1; SMN2 (0.45) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4025311 0.86 HSD11B1 (0.41) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4025306 0.86 HSD11B1 (0.41) KMT2AHTTALDH1A1HSD11B1KDM2B
SCHEMBL4025189 0.86 MGLL (0.38) KMT2AALDH1A1MEN1MGLL

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
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
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US 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
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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 (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 KMT2A 2820/4885HTT 2084/4885ALDH1A1 258/4885

“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.