SCHEMBL4021793

SCHEMBL4021793

Cc1c(F)cccc1C1C(C(=O)c2nccs2)CN(CC(N)=O)CC1C(=O)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CD274 Q9NZQ7 1/20 0.35
MGLL Q99685 4/20 0.34
RBP4 P02753 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GRM5 P41594 1/20 0.33
CHRM4 P08173 1/20 0.33
LMNA P02545 1/20 0.32
F2 P00734 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4021790 1.00 KDM4E (0.39) KDM4EKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL4020948 0.90 EED (0.37) KDM4EKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL4020952 0.90 EED (0.37) KDM4EKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL4023706 0.89 KMT2A (0.37) KDM4EKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL4023704 0.89 KMT2A (0.37) KDM4EKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL4026176 0.86 KMT2A (0.39) KDM4EKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL4795618 0.86 EED (0.32) KDM4EKMT2ALMNA
SCHEMBL4025206 0.82 NPC1 (0.38) KMT2ACYP2D6CD274TAAR1CHRM4
SCHEMBL4025211 0.82 NPC1 (0.38) KMT2ACYP2D6CD274TAAR1CHRM4
SCHEMBL4749099 0.80 POLB (0.38) KMT2ACYP2D6TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US 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 KDM4E 4110/4885KMT2A 2820/4885CYP2D6 1752/4885

“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.