SCHEMBL4464161

SCHEMBL4464161

COc1ccc(CNc2c(-c3ccccc3)c(=O)[nH]c3cc(Cl)c(C#N)cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 11/20 0.56
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RAD51 Q06609 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
IDH1 O75874 1/20 0.39

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
SCHEMBL4456012 0.91 FASN (0.64) FASNMAOAMAOB
SCHEMBL4558342 0.82 FASN (0.56) FASNMAOAMAOBRAD51
SCHEMBL4469054 0.74 FASN (0.77) FASNMAOAMAOB
SCHEMBL4469630 0.73 FASN (0.76) FASNMAOAMAOB
SCHEMBL4457132 0.73 FASN (0.76) FASNMAOAMAOB
SCHEMBL4452981 0.72 FASN (1.00) FASNKDM4EMAPT
SCHEMBL8923261 0.72 KDM4E (0.50) KDM4EHSD17B10MEN1KMT2A
SCHEMBL14916740 0.68 PDE9A (0.65) KDM4EALDH1A1MAPK1GAAMAPT
SCHEMBL4455113 0.67 FASN (1.00) FASNKDM4E
SCHEMBL4456703 0.67 FASN (0.82) FASNKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
EP-1981341-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) Merck and Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089634-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089634-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) MERCK & CO., INC. (US) 2007-08-09 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 (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-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) FASN, FADS2, FADS1 FASN 1/4885MAOA 1459/4885MAOB 1379/4885

“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.