SCHEMBL2367673

SCHEMBL2367673

COC(=O)c1cc(NC(=O)c2nnn(Cc3ccccc3)c2C)cc(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 4/20 0.54
KLKB1 P03952 1/20 0.50
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
KDM4E B2RXH2 4/20 0.48
POLB P06746 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL2367705 0.91 MAPT (0.53) CYP1A2SMN1; SMN2MAPTHSD17B10ALDH1A1
SCHEMBL2367550 0.90 MAPT (0.57) MAPTKLKB1HSD17B10ALDH1A1MEN1
SCHEMBL2367243 0.89 POLB (0.61) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL2368396 0.89 LMNA (0.55) SMN1; SMN2MAPTHSD17B10ALDH1A1MEN1
SCHEMBL1923550 0.88 KDM4E (0.49) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL2368390 0.85 MAPT (0.58) CYP1A2SMN1; SMN2MAPTKLKB1HSD17B10
SCHEMBL23657759 0.85 ALDH1A1 (0.65) CYP1A2SMN1; SMN2MAPTKLKB1HSD17B10
SCHEMBL2367625 0.83 POLB (0.46) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL1924118 0.83 MAPT (0.57) CYP1A2SMN1; SMN2MAPTKLKB1HSD17B10
SCHEMBL15484593 0.83 MAPT (0.54) SMN1; SMN2MAPTKLKB1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8486977-B2 1,2,3-triazole derivatives for use as stearoyl-CoA desaturase inhibitors GLAXOSMITHKLINE LLC (US) 2013-07-16 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
EP-2368887-A1 1, 2, 3-triazole derivatives for use as stearoyl-COA desaturase inhibitors Glaxosmithkline LLC (US) 2011-09-28 EP disclosed
EP-2368887-A1 1, 2, 3-triazole derivatives for use as stearoyl-COA desaturase inhibitors Glaxosmithkline LLC (US) 2011-09-28 EP disclosed
US-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
US-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
US-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-11-25 US 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

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-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, FASN CYP1A2 217/4885SMN1; SMN2 2403/4885MAPT 3320/4885
US-20130281499-A1 COMPOUNDS CYP11B2, SCD, CYP11B1 CYP1A2 53/4885SMN1; SMN2 771/4885MAPT 3475/4885

“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.