SCHEMBL2355561

SCHEMBL2355561

CCC(=O)N1CC(Cc2nn(C(=O)CC)c(=O)n2-c2ccc(Br)cc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.38
CCR1 P32246 4/20 0.36
CCR2 P41597 4/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
MAP2K1 Q02750 3/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 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
SCHEMBL15874642 0.85 FASN (0.45) FASNCCR1CCR2MAPTNPC1
SCHEMBL15874640 0.85 FASN (0.45) FASNCCR1CCR2MAPTNPC1
SCHEMBL2357755 0.83 FASN (0.39) FASNMAPTNPC1RAB9A
SCHEMBL2365103 0.82 FASN (0.53) FASNCCR1CCR2MAPTALDH1A1
SCHEMBL2298684 0.77 FASN (0.61) FASNCCR1CCR2MAPTALDH1A1
SCHEMBL2298682 0.77 FASN (0.61) FASNCCR1CCR2MAPTALDH1A1
SCHEMBL2299277 0.71 FASN (0.62) FASNCCR1CCR2
SCHEMBL2355947 0.69 FASN (0.60) FASNMAPTMAP2K1THRB
SCHEMBL15874488 0.69 FASN (0.72) FASNTHRB
SCHEMBL2355232 0.69 FASN (0.72) FASNTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340529-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2016-05-17 US disclosed
US-8802864-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-20140100213-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
EP-2538787-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2013-01-02 EP disclosed
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-12-13 US disclosed
WO-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 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-20140100213-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885CCR1 4477/4885CCR2 3843/4885
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885CCR1 4368/4885CCR2 3976/4885

“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.