SCHEMBL15601554

SCHEMBL15601554

N#Cc1ccc(C2(F)CN(Cl)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FASN P49327 15/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP19A1 P11511 1/20 0.36
CACNA1H O95180 1/20 0.35

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
SCHEMBL12686833 0.82 FASN (0.40) FASNKDM4ETP53CYP19A1
SCHEMBL15543786 0.76 FASN (0.47) FASN
SCHEMBL2334550 0.75 CYP19A1 (0.41) FASNKDM4ETP53CYP19A1
SCHEMBL516566 0.73 CACNA1H (0.46) FASNKDM4ETP53CYP19A1CACNA1H
SCHEMBL15544008 0.73 PGR (0.39) FASNKDM4ETP53CYP19A1
SCHEMBL5474907 0.72 MAPKAPK2 (0.51) FASNCYP19A1
Hydrochloric Acid SCHEMBL15543507 0.72 PGR (0.38) FASNKDM4ETP53CYP19A1
SCHEMBL13470578 0.71 OPRM1 (0.45) FASN
Hydrochloric Acid SCHEMBL12489013 0.70 MAPKAPK2 (0.50) FASNCYP19A1
SCHEMBL516697 0.70 FASN (0.40) FASNKDM4ETP53

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-20160311803-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2016-10-27 US disclosed
US-9428502-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2016-08-30 US disclosed
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2015-07-30 US disclosed
WO-2014008197-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-01-09 WO 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 (2 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-20160311803-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 FASN 1/4885KDM4E 2502/4885TP53 4320/4885
US-20150210688-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 FASN 1/4885KDM4E 2502/4885TP53 4320/4885

“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.