SCHEMBL110092

SCHEMBL110092

Nc1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
MERTK Q12866 1/20 0.47
TXNRD1 Q16881 4/20 0.46
GSR P00390 3/20 0.46
TDP1 Q9NUW8 4/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.41
DHFR P00374 1/20 0.41
HTT P42858 1/20 0.40
PDE7A Q13946 1/20 0.40
GAA P10253 1/20 0.40
FGFR4 P22455 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29677457 1.00 MAPT (0.47) MAPTMERTKTXNRD1GSRTDP1
Ammonia Solution, Strong SCHEMBL28178631 0.98 MAPT (0.46) MAPTMERTKTXNRD1GSRTDP1
SCHEMBL671296 0.83 TDP1 (0.45) MAPTTDP1POLBL3MBTL1TSHR
SCHEMBL29391396 0.83 TDP1 (0.45) MAPTTDP1POLBL3MBTL1TSHR
SCHEMBL29364858 0.79 MAPT (0.50) MAPTMERTKTXNRD1GSRTDP1
SCHEMBL56616 0.79 MAPT (0.50) MAPTMERTKTXNRD1GSRTDP1
SCHEMBL30271385 0.78 MAPT (0.53) MAPTMERTKTXNRD1GSRTDP1
SCHEMBL17434625 0.78 MAPT (0.49) MAPTMERTKTXNRD1GSRTDP1
SCHEMBL8710611 0.78 MAPT (0.53) MAPTMERTKTXNRD1GSRTDP1
SCHEMBL6990761 0.78 MAPT (0.49) MAPTMERTKTXNRD1GSRTDP1

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 1073 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510400-A Preparation method of 6-bromo-2-chloro-3-nitropyridine 山西永津集团有限公司 2024-02-06 CN claimed
CN-105541705-B A kind of synthetic method of flupirtine maleate compound 山东罗欣药业集团恒欣药业有限公司 2019-08-06 CN claimed
CN-106397313-A High efficient synthesis method of flupirtine maleate 安徽省润生医药股份有限公司 2017-02-15 CN claimed
CN-106397314-A Rivastigmine hydrogen tartrate preparation method and application thereof 安徽省润生医药股份有限公司 2017-02-15 CN claimed
CN-103936766-B A kind of 5(4H)-pyridone the synthetic method of furazan oxide 盐城师范学院 2016-09-14 CN claimed
CN-104086481-B A kind of synthetic method of flupirtine maleate SICHUAN XINSIDUN PHARMACEUTICAL CO., LTD. (CN) 2016-05-11 CN claimed
CN-105541705-A Synthesis method for flupirtine maleate compound SHANDONG LUOXIN PHARMACEUTICAL GROUP CO LTD 2016-05-04 CN claimed
CN-103333103-B Method for preparing flupirtine maleate by one-pot method NANJING CHIA TAI TIANQING PHARMACEUTICAL CO LTD 2015-07-22 CN claimed
CN-104086481-A Synthesis method of flupirtine maleate SICHUAN XINSIDUN PHARMACEUTICAL CO LTD 2014-10-08 CN claimed
CN-103936766-A Synthesis method of 4H-pyridofuroxan-5-one YANCHENG TEACHERS COLLEGE 2014-07-23 CN claimed
EP-1017384-B1 AZABENZIMIDAZOLE-BASED COMPOUNDS FOR MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION ZENTARIS GMBH (DE) 2004-11-10 EP claimed
CN-1169527-C Method for in vitro regulation of serine/threonine protein kinase function by using 5-azaquinoxaline compound 2004-10-06 CN claimed
CN-1167420-C Azabenzimidazoles for modulating serine/threonine protein kinase function 2004-09-22 CN claimed
US-20030181480-A1 Methods of modulating serine/threonine protein kinase function with azabenzimidazole-based compounds ZENTARIS AG 2003-09-25 US claimed
CN-1278172-A Azabenzimidazole-based compounds for modulating serine/threonine protein kinase function ASTA MEDIA AG (DE) 2000-12-27 CN claimed
CN-1274284-A Methods of modulating serine/threnoine protein kinase function with 5-azaquinoxaline-based compounds ASTA MEDICA AG (DE) 2000-11-22 CN claimed
EP-1028729-A2 METHODS OF MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION WITH 5-AZAQUINOXALINE-BASED COMPOUNDS ASTA Medica Aktiengesellschaft (DE) 2000-08-23 EP claimed
EP-1017384-A1 AZABENZIMIDAZOLE-BASED COMPOUNDS FOR MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION ASTA Medica Aktiengesellschaft (DE) 2000-07-12 EP claimed
WO-1999017759-A2 METHODS OF MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION WITH 5-AZAQUINOXALINE-BASED COMPOUNDS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-04-15 WO claimed
WO-1999016438-A1 AZABENZIMIDAZOLE-BASED COMPOUNDS FOR MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-04-08 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030181480-A1 Methods of modulating serine/threonine protein kinase function with azabenzimidazole-based compounds MTOR, BRAF, MKNK1 MAPT 1975/4885MERTK 764/4885TXNRD1 1421/4885

“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.