SCHEMBL2301047

SCHEMBL2301047

COc1cc(Br)ccc1N=C=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.69
TDP1 Q9NUW8 2/20 0.69
ALDH1A1 P00352 1/20 0.69
HPGD P15428 1/20 0.69
PYCR1 P32322 1/20 0.41
TRPA1 O75762 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.35
AMY1A P0DUB6 1/20 0.35
ERN1 O75460 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34

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
SCHEMBL1660244 0.86 ALDH1A1 (0.54) CYP3A4TDP1ALDH1A1HPGDPYCR1
SCHEMBL14992 0.81 CYP3A4 (1.00) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL29350162 0.81 CYP3A4 (1.00) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL374656 0.81 ALDH1A1 (0.67) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL5252562 0.80 ALDH1A1 (0.71) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL703276 0.80 ALDH1A1 (0.71) CYP3A4TDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL543088 0.80 CYP3A4 (0.71) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL29800238 0.80 CYP3A4 (0.71) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL29541267 0.80 ALDH1A1 (0.71) CYP3A4TDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14405561 0.79 ALDH1A1 (0.69) CYP3A4TDP1ALDH1A1HPGDTRPA1

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 7 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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 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 CYP3A4 520/4885TDP1 2553/4885ALDH1A1 629/4885
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 CYP3A4 437/4885TDP1 2529/4885ALDH1A1 410/4885

“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.