SCHEMBL657643

SCHEMBL657643

Sc1cccc(-n2cncn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.53
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA7 P36544 1/20 0.43
GRK6 P43250 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
FBP1 P09467 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL10347629 0.98 CYP2A6 (0.51) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL11926858 0.86 CYP2A6 (0.62) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL3062248 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL1077009 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL3147154 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL30797819 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL1187043 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL6271346 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL1788007 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7
SCHEMBL9454459 0.78 CYP2A6 (0.53) CYP2A6KDM4EALDH1A1SMN1; SMN2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226317-B1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL IND CO (JP) 2015-08-12 EP claimed
US-20130023666-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-01-24 US claimed
US-20100256386-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-07 US claimed
EP-2226317-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-09-08 EP claimed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
EP-2632255-B1 DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed
CN-103664811-B (1H-1,2,4-triazol-1-yl) aryl compound and preparation method thereof IHARA CHEMICAL IND CO. (JP) 2015-09-16 CN disclosed
EP-2226317-B1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL IND CO (JP) 2015-08-12 EP disclosed
CN-101878197-B Method for producing 3-mercaptoaniline compound IHARA CHEMICAL IND CO 2015-01-07 CN disclosed
CN-103664811-A Aryl (1h-1,2,4-triazol-1-yl) compound, and process for production thereof IHARA CHEMICAL IND CO 2014-03-26 CN disclosed
CN-103664811-A Aryl (1h-1,2,4-triazol-1-yl) compound, and process for production thereof IHARA CHEMICAL IND CO 2014-03-26 CN disclosed
US-8648207-B2 Aryl (1H-1,2,4-triazol-1-yl) compound, and process for production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-02-11 US disclosed
EP-2047333-A1 NEGATIVE-WORKING RADIATION-SENSITIVE COMPOSITIONS AND IMAGEABLE MATERIALS EASTMAN KODAK COMPANY (US) 2009-04-15 EP disclosed
WO-2009023112-A1 NEGATIVE-WORKING IMAGEABLE ELEMENTS AND METHODS OF USE EASTMAN KODAK COMPANY (US) 2009-02-19 WO disclosed
WO-2008156552-A1 ON-PRESS DEVELOPABLE NEGATIVE-WORKING IMAGEABLE ELEMENTS AND METHODS OF USE EASTMAN KODAK COMPANY (US) 2008-12-24 WO disclosed
WO-2008150441-A1 IMAGEABLE ELEMENTS AND METHODS OF USE IN NEGATIVE WORKING LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK COMPANY (US) 2008-12-11 WO disclosed
WO-2008127549-A1 NEGATIVE-WORKING IMAGEABLE ELEMENTS AND METHODS OF USE EASTMAN KODAK COMPANY (US) 2008-10-23 WO disclosed
WO-2008036170-A1 NEGATIVE-WORKING RADIATION-SENSITIVE COMPOSITIONS AND IMAGEABLE MATERIALS EASTMAN KODAK COMPANY (US) 2008-03-27 WO disclosed
WO-2008027227-A1 METHOD OF IMAGING AND DEVELOPING NEGATIVE-WORKING ELEMENTS EASTMAN KODAK COMPANY (US) 2008-03-06 WO disclosed
WO-2008013766-A1 NEGATIVE-WORKING RADIATION-SENSITIVE COMPOSITIONS AND IMAGEABLE MATERIALS EASTMAN KODAK COMPANY (US) 2008-01-31 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-20100256386-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND AND PROCESS FOR PRODUCTION THEREOF CYP1A1, CYP2S1, NAT1 CYP2A6 28/4885KDM4E 2741/4885ALDH1A1 217/4885
US-20130023666-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF CYP1B1, CYP1A1, AOC3 CYP2A6 19/4885KDM4E 3697/4885ALDH1A1 99/4885

“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.