SCHEMBL4022391

SCHEMBL4022391

COc1cccc(C(=O)[C@H]2CN(CCN(C)S(C)(=O)=O)C[C@H](C(=O)c3ccccc3F)[C@H]2c2cccc(F)c2C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 6/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
MCHR1 Q99705 2/20 0.35
KCNH2 Q12809 1/20 0.35
KAT6A Q92794 1/20 0.35
DRD4 P21917 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13721097 1.00 KDM2B (0.37) KDM2BKMT2AHTTMCHR1KCNH2
SCHEMBL4022390 1.00 KDM2B (0.37) KDM2BKMT2AHTTMCHR1KCNH2
SCHEMBL4026436 0.87 KDM2B (0.42) KDM2BKMT2AHTTMCHR1KAT6A
SCHEMBL4780092 0.87 KDM2B (0.43) KDM2BKMT2AHTTDRD4ALDH1A1
SCHEMBL4021684 0.87 KDM2B (0.38) KDM2BKMT2AHTTMCHR1KAT6A
SCHEMBL4029300 0.86 MCHR1 (0.36) KDM2BKMT2AHTTMCHR1KCNH2
SCHEMBL4023627 0.85 KDM2B (0.39) KDM2BKMT2AHTTMCHR1KAT6A
SCHEMBL4022127 0.85 KDM2B (0.39) KDM2BKMT2AHTTMCHR1KAT6A
SCHEMBL4023629 0.85 KDM2B (0.39) KDM2BKMT2AHTTMCHR1KAT6A
SCHEMBL13721312 0.85 KDM2B (0.39) KDM2BKMT2AHTTMCHR1KAT6A

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 2 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 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 KDM2B 3090/4885KMT2A 2820/4885HTT 2084/4885

“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.