SCHEMBL2282371

SCHEMBL2282371

CC(=O)Nc1ccc(-c2ccc(NC(C)=O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
HTT P42858 2/20 0.60
KMT2A Q03164 1/20 0.59
POLB P06746 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
PKM P14618 1/20 0.56
ABCC1 P33527 8/20 0.55
ABCB1 P08183 8/20 0.55
KCNMA1 Q12791 1/20 0.55
ALDH3A1 P30838 1/20 0.51

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
SCHEMBL2645986 0.92 ABCB1 (0.66) MAPTNPSR1HTTKMT2ANPC1
SCHEMBL11222561 0.90 MAPT (0.57) MAPTNPSR1HTTKMT2APOLB
SCHEMBL11277169 0.89 MAPT (0.56) MAPTNPSR1HTTKMT2APOLB
SCHEMBL7828438 0.87 MAPT (0.54) MAPTNPSR1HTTKMT2APOLB
SCHEMBL11277648 0.86 MAPT (0.53) MAPTNPSR1HTTKMT2APOLB
SCHEMBL11287679 0.85 ABCB1 (0.66) MAPTNPSR1HTTKMT2ANPC1
SCHEMBL12426042 0.85 HTT (0.82) MAPTNPSR1HTTKMT2APOLB
SCHEMBL29657482 0.85 MAPT (0.66) MAPTNPSR1HTTKMT2APOLB
SCHEMBL1532370 0.85 MAPT (0.66) MAPTNPSR1HTTKMT2APOLB
SCHEMBL4835079 0.85 MAPT (0.66) MAPTNPSR1HTTKMT2APOLB

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730102-B1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3 , 4,4'-TETRAMINOBIPHENYL COUNCIL SCIENT IND RES (IN) 2010-09-22 EP claimed
EP-1730102-A1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3 , 4,4'-TETRAMINOBIPHENYL Council of Scientific and Industrial Research (IN) 2006-12-13 EP claimed
WO-2005092839-A1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3', 4,4'-TETRAMINOBIPHENYL COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-10-06 WO claimed
CN-108191674-A A kind of synthetic method of benzidine compound 邵玉田 2018-06-22 CN disclosed
US-7999112-B2 Reusable transition metal complex catalyst useful for the preparation of high pure quality 3,3′-diaminobenzidine and its analogues and a process thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-08-16 US disclosed
EP-1730102-B1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3 , 4,4'-TETRAMINOBIPHENYL COUNCIL SCIENT IND RES (IN) 2010-09-22 EP disclosed
US-7601873-B2 Method of manufacturing 3,3′,4,4′-tetraaminobiphenyl SHOWA DENKO K.K. (JP) 2009-10-13 US disclosed
US-7601873-B2 Method of manufacturing 3,3′,4,4′-tetraaminobiphenyl SHOWA DENKO K.K. (JP) 2009-10-13 US disclosed
US-20090149676-A1 METHOD OF MANUFACTURING 3, 3' , 4, 4'-TETRAAMINOBIPHENYL SHOWA DENKO K. K. (JP) 2009-06-11 US disclosed
US-20090149676-A1 METHOD OF MANUFACTURING 3, 3' , 4, 4'-TETRAAMINOBIPHENYL SHOWA DENKO K. K. (JP) 2009-06-11 US disclosed
US-20090131678-A1 Novel reusable transition metal complex catalyst useful for the preparation of high pure quality 3,3'-diaminobenzidine and its analogues and a process thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2009-05-21 US disclosed
EP-1730102-A1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3 , 4,4'-TETRAMINOBIPHENYL Council of Scientific and Industrial Research (IN) 2006-12-13 EP disclosed
US-6979749-B2 Catalytic process for the production of 3,3′, 4,4′-tetraminobiphenyl COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-12-27 US disclosed
WO-2005092839-A1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3', 4,4'-TETRAMINOBIPHENYL COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-10-06 WO disclosed
US-20050215823-A1 NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3', 4,4'-TETRAMINOBIPHENYL COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-09-29 US disclosed
US-6835854-B1 Oxidation of 3,3'-dichloro 4,4'-diaminobiphenyl (DCB), ammonolysis of the resulting 3,3'-dichloro-4,4'-dinitrobiphenyl (DCDNB) and reduction of 3,3'-diamino-4,4'-dinitrobiphenyl and treating with an alkali COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-12-28 US 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-20090149676-A1 METHOD OF MANUFACTURING 3, 3' , 4, 4'-TETRAAMINOBIPHENYL BRI3BP, TH, TST MAPT 2656/4885NPSR1 2357/4885HTT 147/4885
US-20050215823-A1 NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3', 4,4'-TETRAMINOBIPHENYL NNMT, CBR3, POR MAPT 4350/4885NPSR1 1305/4885HTT 2171/4885
US-20090131678-A1 Novel reusable transition metal complex catalyst useful for the preparation of high pure quality 3,3'-diaminobenzidine and its analogues and a process thereof CYBB, DDT, NOX4 MAPT 3729/4885NPSR1 3055/4885HTT 1484/4885

“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.