SCHEMBL2368280

SCHEMBL2368280

COC(=O)c1ccc(C(=O)Nc2nnn(Cc3ccc(Cl)c(Cl)c3)c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
PTGDR2 Q9Y5Y4 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 2/20 0.44
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 3/20 0.43
NLRP3 Q96P20 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
MAPK10 P53779 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 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
SCHEMBL15329333 0.89 PTGDR2 (0.51) PTGDR2SMN1; SMN2MAPTPLA2G1BCYP1A2
SCHEMBL2367474 0.89 PTGDR2 (0.48) GAAPTGDR2SMN1; SMN2MAPTPLA2G1B
SCHEMBL2367664 0.81 MAPT (0.48) GAARAB9APTGDR2SMN1; SMN2MAPT
SCHEMBL1923628 0.80 SMN1; SMN2 (0.52) GAARAB9APTGDR2SMN1; SMN2MAPT
SCHEMBL1923550 0.80 KDM4E (0.49) PTGDR2MAPTMAPK1POLBALDH1A1
SCHEMBL3754549 0.79 MAPT (0.42) GAARAB9APTGDR2SMN1; SMN2MAPT
SCHEMBL3940655 0.78 PTGER1 (0.45) GAAPTGDR2SMN1; SMN2MAPTCYP3A4
SCHEMBL2367982 0.78 HSD17B10 (0.54) PTGDR2SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL2367584 0.78 MAPT (0.54) GAASMN1; SMN2MAPTPLA2G1BATG4B
SCHEMBL2367582 0.78 KCNH2 (0.48) PTGDR2SMN1; SMN2MAPTMAPK1POLB

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 13 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
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-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
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 GAA 660/4885RAB9A 3512/4885PTGDR2 1084/4885
US-20130281499-A1 COMPOUNDS CYP11B2, SCD, CYP11B1 GAA 134/4885RAB9A 2177/4885PTGDR2 1106/4885

“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.