SCHEMBL1923628

SCHEMBL1923628

COC(=O)c1nnn(Cc2ccc(Cl)c(Cl)c2)c1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 4/20 0.45
GAA P10253 2/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
TP53 P04637 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1923196 0.86 HPGD (0.48) SMN1; SMN2GAAHTTPTGDR2TP53
SCHEMBL15492140 0.86 PTGS2 (0.45) SMN1; SMN2POLBMAPTTSHRGAA
SCHEMBL4330825 0.85 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2POLBMAPTTSHR
SCHEMBL12292517 0.85 POLB (0.40) SMN1; SMN2CYP1A2POLBMAPTTSHR
SCHEMBL1923550 0.85 KDM4E (0.49) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL2367523 0.85 SMN1; SMN2 (0.50) SMN1; SMN2POLBMAPTTSHRGAA
SCHEMBL3749261 0.84 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2POLBMAPTTSHR
SCHEMBL2367664 0.84 MAPT (0.48) SMN1; SMN2POLBMAPTTSHRGAA
SCHEMBL2367818 0.84 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2POLBMAPTRAB9A
SCHEMBL29382098 0.83 THRB (0.46) SMN1; SMN2POLBMAPTGAARAB9A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207774-B1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-13 EP disclosed
EP-2207774-B1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-13 EP disclosed
US-9051281-B2 Compounds GLAXOSMITHKLINE LLC (US) 2015-06-09 US disclosed
US-9051281-B2 Compounds GLAXOSMITHKLINE LLC (US) 2015-06-09 US disclosed
US-9051281-B2 Compounds GLAXOSMITHKLINE LLC (US) 2015-06-09 US disclosed
EP-2368887-B1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-02-26 EP disclosed
US-20130281499-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2013-10-24 US disclosed
US-20130281499-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2013-10-24 US disclosed
US-20130281499-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2013-10-24 US disclosed
US-8486977-B2 1,2,3-triazole derivatives for use as stearoyl-CoA desaturase inhibitors GLAXOSMITHKLINE LLC (US) 2013-07-16 US disclosed
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 US disclosed
US-20100297097-A1 COMPOUNDS GLAXOSMITHKLINE LLC 2010-11-25 US disclosed
EP-2207774-A1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS GlaxoSmithKline LLC (US) 2010-07-21 EP disclosed
EP-2207770-A1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS GlaxoSmithKline LLC (US) 2010-07-21 EP disclosed
WO-2009060054-A1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO disclosed
WO-2009060054-A1 TRIAZOLE DERIVATIVES AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO disclosed
WO-2009060053-A1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO disclosed
WO-2009060053-A1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 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-20100297097-A1 COMPOUNDS APP, BACE1, SCD SMN1; SMN2 3780/4885CYP1A2 336/4885POLB 2392/4885
US-20130281499-A1 COMPOUNDS CYP11B2, SCD, CYP11B1 SMN1; SMN2 771/4885CYP1A2 53/4885POLB 3817/4885

“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.