SCHEMBL13855831

SCHEMBL13855831

[N-]=[N+]=NCc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.52
HTR3B O95264 3/20 0.52
HTR3A P46098 3/20 0.52
HTR3D Q70Z44 3/20 0.52
HTR3C Q8WXA8 3/20 0.52
PNMT P11086 2/20 0.50
TAAR1 Q96RJ0 4/20 0.47
GRIN2B Q13224 4/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP3A4 P08684 2/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
CHRM2 P08172 1/20 0.42

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
SCHEMBL13887515 0.87 GRIN2D (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21594393 0.82 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13855830 0.79 TSHR (0.38) GRIN2BCYP3A4IDO1
SCHEMBL13615362 0.79 IDO1 (0.33) IDO1
SCHEMBL13855839 0.78 MIF (0.53) TAAR1GRIN2BIDO1AGXT
SCHEMBL13921682 0.78 MAOB (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16097145 0.78 TAAR1 (0.46) TAAR1IDO1AGXT
SCHEMBL14872978 0.78 PDE2A (0.39) GRIN2BSIGMAR1CYP3A4IDO1
SCHEMBL14648573 0.78 TAAR1 (0.46) TAAR1IDO1
SCHEMBL18795026 0.78 CYP1A2 (0.53) GRIN2BSIGMAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409293-B Benzothiazinone compound, preparation method thereof and application of compound as antituberculosis drug 苏州大学 2023-04-07 CN disclosed
WO-2021137665-A1 1, 2, 3-TRIAZOLE DERIVATIVE COMPOUND AS HSP90 INHIBITOR, AND USE THEREOF 이화여자대학교 산학협력단 2021-07-08 WO disclosed
WO-2021137665-A1 1, 2, 3-TRIAZOLE DERIVATIVE COMPOUND AS HSP90 INHIBITOR, AND USE THEREOF 이화여자대학교 산학협력단 2021-07-08 WO disclosed
CN-112409293-A Benzothiazinone compound, preparation method thereof and application of compound as antituberculosis drug 苏州大学 2021-02-26 CN disclosed
WO-2020232807-A1 NAPHTHOQUINONE FUSED TRIAZOLE DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF 广州中医药大学(广州中医药研究院) (CN) 2020-11-26 WO disclosed
CN-111269197-A Benzothiazinone compound, preparation method thereof and application of compound as antituberculosis drug 苏州大学 2020-06-12 CN disclosed
CN-104497008-B Substituted (oxazolidinon-5-yl-methyl)-2-thiophene-carboxamides compound and using method thereof and purposes 广东东阳光药业有限公司 2016-11-16 CN 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
WO-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO 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
CN-103059003-A Benzimidazole-1,2,3-triazole compound having antifungal activity, and its preparation method UNIV HENAN NORMAL 2013-04-24 CN 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
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 HTR3E 1690/4885HTR3B 1738/4885HTR3A 1357/4885
US-20130281499-A1 COMPOUNDS CYP11B2, SCD, CYP11B1 HTR3E 1167/4885HTR3B 755/4885HTR3A 1432/4885

“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.