SCHEMBL2298365

SCHEMBL2298365

O=C(CC1CN(C(=O)C2CC2)C1)NNC(=O)Nc1ccc(Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
MAPT P10636 5/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 5/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
EPHX2 P34913 1/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL14152092 0.84 THRB (0.52) THRBMAPTTP53LMNAALDH1A1
SCHEMBL15874475 0.84 THRB (0.52) THRBMAPTTP53LMNAALDH1A1
SCHEMBL15874474 0.84 THRB (0.52) THRBMAPTTP53LMNAALDH1A1
SCHEMBL2298347 0.82 KMT2A (0.51) THRBLMNANPC1RAB9AEPHX2
SCHEMBL2297057 0.82 USP30 (0.50) THRBMAPTTP53LMNAALDH1A1
SCHEMBL2303512 0.81 HTT (0.47) MAPTLMNASMN1; SMN2AAK1EPHX2
SCHEMBL14151936 0.81 HTT (0.47) MAPTLMNASMN1; SMN2AAK1EPHX2
SCHEMBL14151661 0.81 ALDH1A1 (0.42) THRBMAPTTP53ALDH1A1NPC1
SCHEMBL14152056 0.81 EPHX2 (0.43) THRBMAPTTP53AAK1EPHX2
SCHEMBL2299736 0.80 EPHX2 (0.41) THRBNPC1RAB9AEPHX2POLB

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 THRB 2070/4885MAPT 4464/4885TP53 1586/4885
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 THRB 1794/4885MAPT 4609/4885TP53 2065/4885

“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.