SCHEMBL2298347

SCHEMBL2298347

O=C(CC1CN(C(=O)C2CC2)C1)NNC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 4/20 0.45
EPHX2 P34913 3/20 0.45
CHRNA7 P36544 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NAMPT P43490 1/20 0.42
EPHX1 P07099 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR183 P32249 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
SCHEMBL2295438 0.92 KMT2A (0.48) KMT2ANPC1RAB9AMEN1EPHX2
SCHEMBL2299286 0.92 KMT2A (0.48) KMT2ANPC1RAB9AMEN1EPHX2
SCHEMBL14152796 0.92 KMT2A (0.48) KMT2ANPC1RAB9AMEN1EPHX2
SCHEMBL2298365 0.82 THRB (0.44) KMT2ANPC1RAB9AMEN1EPHX2
SCHEMBL14151538 0.82 KMT2A (0.50) KMT2ANPC1RAB9AMEN1EPHX2
SCHEMBL2298545 0.80 FPR2 (0.54) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL2298548 0.78 KIT (0.43) KMT2ANPC1RAB9AMEN1EPHX2
SCHEMBL14151936 0.76 HTT (0.47) KMT2AMEN1EPHX2KDM4ELMNA
SCHEMBL2303512 0.76 HTT (0.47) KMT2AMEN1EPHX2KDM4ELMNA
SCHEMBL14151661 0.76 ALDH1A1 (0.42) KMT2ANPC1RAB9AMEN1EPHX2

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 KMT2A 2550/4885NPC1 1094/4885RAB9A 4061/4885
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 KMT2A 3059/4885NPC1 1030/4885RAB9A 3897/4885

“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.