SCHEMBL744307

SCHEMBL744307

COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 5/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
ABCG2 Q9UNQ0 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ABCC4 O15439 2/20 0.48
CACNA1F O60840 2/20 0.48
ABCB11 O95342 2/20 0.48
CYP1A2 P05177 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
MAPK1 P28482 2/20 0.48
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
OPRM1 P35372 2/20 0.48
SCN1A P35498 2/20 0.48
HTR2B P41595 2/20 0.48

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
SCHEMBL29351076 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL6949727 0.95 KMT2A (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL29383650 0.95 KMT2A (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL2636596 0.95 KMT2A (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL6949730 0.94 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL17263514 0.92 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL10748158 0.90 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL9570762 0.89 MAPT (0.42) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL6955248 0.89 LMNA (0.54) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL18157025 0.87 KMT2A (0.44) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3408266-B1 N3,N6-BIS(2-(5-METHOXY-1H-INDOLE-3-YL)ETHYL)-2,6-DIMETHYL-4-(2-NITROPHENYL)PYRIDINE-3,5-DICARBOXAMIDE AND USE THEREOF IN THE FIELD OF NEUROTOXICITY ATATUERK UENIVERSITESI BILIMSEL ARASTIRMA PROJELERI BIRIMI (TR) 2020-11-18 EP claimed
US-10758521-B2 N3,N6-bis(2-(5-methoxy-1H-indole-3-yl)ethyl)-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxamide and use thereof in the field of neurotoxicity HCM BIOSCIENCE SAGLIK TEKNOLOJILERI ANONIM SIRKETI (TR) 2020-09-01 US claimed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN claimed
CN-111097050-A Composition comprising fatty acid or derivative thereof and phenylpyridine derivative 黄泳华 2020-05-05 CN claimed
US-20190290628-A1 N3,N6-BIS(2-(5-METHOXY-1H-INDOLE-3-YL)ETHYL)-2,6-DIMETHYL-4-(2-NITROPHENYL)PYRIDINE-3,5-DICARBOXAMIDE AND USE THEREOF IN THE FIELD OF NEUROTOXICITY HCM BIOSCIENCE SAGLIK TEKNOLOJILERI ANONIM SIRKETI (TR) 2019-09-26 US claimed
US-20190038612-A1 N3,N6-BIS(2-(5-METHOXY-1H-INDOLE-3-YL)ETHYL)-2,6-DIMETHYL-4-(2-NITROPHENYL)PYRIDINE-3,5-DICARBOXAMIDE AND USE THEREOF IN THE FIELD OF NEUROTOXICITY HCM BIOSCIENCE SAGLIK TEKNOLOJILERI ANONIM SIRKETI (TR) 2019-02-07 US claimed
EP-3408266-A1 N3,N6-BIS(2-(5-METHOXY-1H-INDOLE-3-YL)ETHYL)-2,6-DIMETHYL-4-(2-NITROPHENYL)PYRIDINE-3,5-DICARBOXAMIDE AND USE THEREOF IN THE FIELD OF NEUROTOXICITY Atatürk Üniversitesi Bilimsel Arastirma Projeleri Birimi (TR) 2018-12-05 EP claimed
WO-2017131601-A1 N3,N6-BIS(2-(5-METHOXY-1H-INDOLE-3-YL)ETHYL)-2,6-DIMETHYL-4-(2-NITROPHENYL)PYRIDINE-3,5-DICARBOXAMIDE AND USE THEREOF IN THE FIELD OF NEUROTOXICITY ATATURK UNIVERSITESI BILIMSEL ARASTIRMA PROJELERI BIRIMI (TR) 2017-08-03 WO claimed
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP claimed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP claimed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO claimed
CN-119192062-A Preparation liquid chromatography method for separating nifedipine photodegradation impurities 天津力生制药股份有限公司 2024-12-27 CN disclosed
CN-115626889-B Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2024-04-30 CN disclosed
CN-116466000-A Method for rapidly determining 176 PPCPs content in source water 福建省产品质量检验研究院(福建省缺陷产品召回技术中心) 2023-07-21 CN disclosed
CN-115626889-A Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2023-01-20 CN disclosed
WO-2000051643-A1 USE OF GALLIC ACID ESTERS TO INCREASE BIOAVAILABILITY OF ORALLY ADMINISTERED PHARMACEUTICAL COMPOUNDS AVMAX, INC. (US) 2000-09-08 WO disclosed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP disclosed
EP-0662321-B1 Method for producing osmosis-controlled tablets avoiding the use of chlorinated hydrocarbons EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1999-10-20 EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO disclosed
EP-0662321-A1 Method for producing osmosis-controlled tablets avoiding the use of chlorinated hydrocarbons EGIS GYOGYSZERGYAR RT. (HU) 1995-07-12 EP 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 (3 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-20190290628-A1 N3,N6-BIS(2-(5-METHOXY-1H-INDOLE-3-YL)ETHYL)-2,6-DIMETHYL-4-(2-NITROPHENYL)PYRIDINE-3,5-DICARBOXAMIDE AND USE THEREOF IN THE FIELD OF NEUROTOXICITY NLN, CASP3, AANAT ALDH1A1 564/4885SMN1; SMN2 120/4885MAPT 633/4885
US-20190038612-A1 N3,N6-BIS(2-(5-METHOXY-1H-INDOLE-3-YL)ETHYL)-2,6-DIMETHYL-4-(2-NITROPHENYL)PYRIDINE-3,5-DICARBOXAMIDE AND USE THEREOF IN THE FIELD OF NEUROTOXICITY NLN, CASP3, AANAT ALDH1A1 564/4885SMN1; SMN2 120/4885MAPT 633/4885
US-10758521-B2 N3,N6-bis(2-(5-methoxy-1H-indole-3-yl)ethyl)-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxamide and use thereof in the field of neurotoxicity NLN, CASP3, AANAT ALDH1A1 564/4885SMN1; SMN2 120/4885MAPT 633/4885

“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.