SCHEMBL4022291

SCHEMBL4022291

CNCCC(=O)N1CC(C(=O)c2cccc(O)c2)C(c2cccc(F)c2C)C(C(=O)c2cccc(O)c2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NAMPT P43490 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A4 P14672 1/20 0.31

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
SCHEMBL4022289 1.00 MGLL (0.34) MGLLMEN1KMT2ACYP2C9CYP2C19
SCHEMBL4026185 0.91 MGLL (0.34) MGLLMEN1KMT2AKDM4EALDH1A1
SCHEMBL4026195 0.91 MGLL (0.34) MGLLMEN1KMT2AKDM4EALDH1A1
SCHEMBL4029451 0.87 CARM1 (0.37) MGLLMEN1KMT2A
SCHEMBL4019096 0.87 MGLL (0.35) MGLLMEN1KMT2AKDM4EALDH1A1
SCHEMBL4019088 0.87 MGLL (0.35) MGLLMEN1KMT2AKDM4EALDH1A1
SCHEMBL4019114 0.86 SIGMAR1 (0.38) MGLLSIGMAR1
SCHEMBL4019124 0.86 SIGMAR1 (0.38) MGLLSIGMAR1
SCHEMBL4024736 0.86 DRD3 (0.34) MEN1KMT2AALDH1A1
SCHEMBL4021552 0.86 DRD3 (0.36) MEN1KMT2ANAMPT

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 4 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
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 MGLL 2929/4885MEN1 77/4885KMT2A 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.