SCHEMBL2368030

SCHEMBL2368030

Cc1c(C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)nnn1Cc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.49
P2RY14 Q15391 1/20 0.49
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTGER4 P35408 1/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KLKB1 P03952 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL2367550 0.92 MAPT (0.57) MAPTNPC1RAB9APOLBHSD17B10
SCHEMBL2367705 0.90 MAPT (0.53) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL2368399 0.88 PTGER4 (0.52) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL31414357 0.87 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL1923270 0.87 PTGDR2 (0.47) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL2368097 0.87 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL2368540 0.86 NPC1 (0.57) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL2367906 0.84 RAB9A (0.55) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL2367641 0.84 RAB9A (0.55) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL15339707 0.84 SMN1; SMN2 (0.45) MAPTSMN1; SMN2NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MAPT 3320/4885SMN1; SMN2 2403/4885NPC1 184/4885
US-20130281499-A1 COMPOUNDS CYP11B2, SCD, CYP11B1 MAPT 3475/4885SMN1; SMN2 771/4885NPC1 22/4885

“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.