SCHEMBL4022374

SCHEMBL4022374

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(C(N)=O)c2)CN(CC(=O)N(C)C)C[C@H]1C(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
EED O75530 2/20 0.33
OPRM1 P35372 10/20 0.32
OPRD1 P41143 3/20 0.32
KDM4A O75164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PARP10 Q53GL7 1/20 0.32
ARRB1 P49407 4/20 0.31
OPRK1 P41145 2/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
DPP4 P27487 1/20 0.31
OPRL1 P41146 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL4022370 1.00 KDM4E (0.37) KDM4EALDH1A1HPGDEEDOPRM1
SCHEMBL4749448 0.96 EED (0.34) KDM4EALDH1A1HPGDEEDOPRM1
SCHEMBL5635105 0.92 EED (0.31) KDM4EALDH1A1HPGDEEDOPRM1
SCHEMBL4022581 0.90 ALDH1A1 (0.35) ALDH1A1EEDOPRM1PARP10
SCHEMBL4022580 0.90 ALDH1A1 (0.35) ALDH1A1EEDOPRM1PARP10
SCHEMBL4019982 0.88 KMT2A (0.39) KDM4EALDH1A1EED
SCHEMBL4019987 0.88 KMT2A (0.39) KDM4EALDH1A1EED
SCHEMBL4024473 0.86 ABL1 (0.37) EEDOPRM1OPRD1OPRK1
SCHEMBL4024477 0.86 ABL1 (0.37) EEDOPRM1OPRD1OPRK1
SCHEMBL4024035 0.85 ALDH1A1 (0.37) ALDH1A1

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 KDM4E 4110/4885ALDH1A1 258/4885HPGD 201/4885

“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.