SCHEMBL497223

SCHEMBL497223

Cc1ccc(Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.74
ALDH1A1 P00352 5/20 0.74
TDP1 Q9NUW8 4/20 0.74
L3MBTL1 Q9Y468 3/20 0.74
CASP7 P55210 1/20 0.74
MAPT P10636 7/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
GAA P10253 3/20 0.71
PKM P14618 1/20 0.71
LMNA P02545 2/20 0.57
IDO1 P14902 1/20 0.55
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
EPAS1 Q99814 1/20 0.52
HTT P42858 2/20 0.52
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 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
SCHEMBL11506844 0.91 ALDH1A1 (0.89) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL11339005 0.87 TDP1 (0.56) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL11676980 0.86 MAPK1 (0.74) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL11507400 0.86 ALDH1A1 (0.79) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL31333098 0.85 TDP1 (1.00) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL230292 0.85 TDP1 (1.00) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL5718635 0.84 MAPK1 (0.77) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL11680400 0.83 MEN1 (0.66) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL7395072 0.83 MAPK1 (0.74) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL109703 0.83 MAPT (1.00) MAPK1ALDH1A1TDP1L3MBTL1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3950127-A HAIR DYE COMPOSITIONS CONTAINING NITRODIPHENYLAMINE DYES AND METHOD FOR DYEING HAIR THEREWITH CLAIROL INCORPORATED (US) 1976-04-13 US claimed
WO-2019060409-A1 INHIBITING CONNEXIN 46 TO TREAT GLIOBLASTOMA AND OTHER CONDITIONS THE CLEVELAND CLINIC FOUNDATION (US) 2019-03-28 WO disclosed
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
US-8357691-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2013-01-22 US disclosed
US-8357691-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2013-01-22 US disclosed
US-8334302-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds SPELMAN COLLEGE (US) 2012-12-18 US disclosed
US-8334302-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds SPELMAN COLLEGE (US) 2012-12-18 US disclosed
US-8334302-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds SPELMAN COLLEGE (US) 2012-12-18 US disclosed
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2004-05-20 US disclosed
US-6620840-B1 Nitric oxide synthase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-09-16 US disclosed
US-6482822-B1 N-(iminomethyl)amines derivatives, their preparation, their use as medicines and compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-11-19 US disclosed
EP-1115720-A2 NOVEL N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-07-18 EP disclosed
WO-2000017191-A2 N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-03-30 WO disclosed
EP-0011790-B1 PROCESS FOR THE PREPARATION OF NITRODIPHENYL AMINE DERIVATIVES BAYER AG (DE) 1981-07-15 EP disclosed
US-4238407-A Process for the preparation of nitro diphenyl amine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
EP-0011790-A1 Process for the preparation of nitrodiphenyl amine derivatives BAYER AG (DE) 1980-06-11 EP disclosed
US-4021486-A Hydroxyalkyl-amino nitrodiphenylamine compounds useful as hair dyes CLAIROL INCORPORATED (US) 1977-05-03 US disclosed
US-3950127-A HAIR DYE COMPOSITIONS CONTAINING NITRODIPHENYLAMINE DYES AND METHOD FOR DYEING HAIR THEREWITH CLAIROL INCORPORATED (US) 1976-04-13 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 (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-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 MAPK1 2029/4885ALDH1A1 1257/4885TDP1 892/4885

“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.