SCHEMBL2367593

SCHEMBL2367593

Cc1c(C(=O)O)nnn1Cc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 3/20 0.52
KMT2A Q03164 2/20 0.51
P2RY14 Q15391 1/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
CYP19A1 P11511 3/20 0.47
KLKB1 P03952 1/20 0.47
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.46
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGER4 P35408 1/20 0.45

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
SCHEMBL795210 0.87 HPGD (0.68) HPGDSMN1; SMN2MAPTKMT2ACYP19A1
SCHEMBL2367657 0.86 GRN (0.49) HPGDSMN1; SMN2MAPTCYP19A1KLKB1
SCHEMBL2367818 0.86 SMN1; SMN2 (0.57) HPGDSMN1; SMN2MAPTKMT2AIDO1
SCHEMBL15339707 0.86 SMN1; SMN2 (0.45) HPGDSMN1; SMN2MAPTKMT2AP2RY14
SCHEMBL2368039 0.84 KDM4E (0.50) HPGDSMN1; SMN2P2RY14CYP19A1KLKB1
SCHEMBL2368030 0.83 MAPT (0.55) HPGDSMN1; SMN2MAPTKMT2AP2RY14
SCHEMBL1923196 0.83 HPGD (0.48) HPGDSMN1; SMN2KLKB1TP53
SCHEMBL2368540 0.82 NPC1 (0.57) SMN1; SMN2MAPTKMT2AP2RY14KLKB1
SCHEMBL2367846 0.80 HPGD (0.54) HPGDSMN1; SMN2MAPTIDO1TDO2
SCHEMBL2367906 0.80 RAB9A (0.55) SMN1; SMN2MAPTKMT2AMEN1NPC1

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 17 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
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 HPGD 592/4885SMN1; SMN2 2403/4885MAPT 3320/4885
US-20130281499-A1 COMPOUNDS CYP11B2, SCD, CYP11B1 HPGD 719/4885SMN1; 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.