SCHEMBL628651

SCHEMBL628651

O=[N+]([O-])c1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.72
PTPRF P10586 1/20 0.61
PTPN2 P17706 1/20 0.61
PTPN1 P18031 1/20 0.61
PTPN11 Q06124 1/20 0.61
LOXL2 Q9Y4K0 1/20 0.59
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CA12 O43570 1/20 0.58
CA4 P22748 1/20 0.58
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
TSHR P16473 1/20 0.55
IDO1 P14902 2/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL1041853 0.92 MEN1 (0.69) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL11597593 0.91 CHRM2 (0.79) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL18633755 0.90 CHRM2 (0.62) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL3155876 0.90 CYP1A2 (0.64) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL11777893 0.89 CHRM2 (0.60) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL2356855 0.89 POLB (0.71) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL1803792 0.88 CHRM2 (0.64) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL6353049 0.88 CHRM2 (0.64) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL17187969 0.88 CHRM2 (0.64) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL16681892 0.86 CA1 (0.77) CHRM2PTPRFPTPN2PTPN1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 CN disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 US disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 US disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
WO-2015060359-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE 日産化学工業株式会社 2015-04-30 WO disclosed
US-7683191-B2 Organic salts and method for producing chiral organic compounds Studiangesellschaft Kohle mbH (DE) 2010-03-23 US disclosed
US-20090030216-A1 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-01-29 US disclosed
US-20090030216-A1 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-01-29 US disclosed
WO-2007098741-A2 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2007-09-07 WO disclosed
CN-1391557-A 6-substituted indolinones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-15 CN disclosed
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
WO-2000032574-A1 NOVEL 2-PYRIDONE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-06-08 WO disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 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-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 CHRM2 1136/4885PTPRF 4541/4885PTPN2 3708/4885
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE H1-4, H1-2, H1-5 CHRM2 1321/4885PTPRF 4444/4885PTPN2 3721/4885
US-20090030216-A1 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS ICMT, OTC, PNPO CHRM2 1252/4885PTPRF 1347/4885PTPN2 3566/4885

“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.