SCHEMBL6607465

SCHEMBL6607465

CC(=O)NCc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
TDP1 Q9NUW8 1/20 0.53
APP P05067 1/20 0.50
ITGA4 P13612 6/20 0.49
ITGB7 P26010 6/20 0.49
NQO2 P16083 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 1/20 0.47

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
SCHEMBL4864240 0.90 MEN1 (0.52) KMT2AMEN1CRHBPCRHR2TDP1
SCHEMBL11193465 0.85 NQO2 (0.48) KMT2AMEN1CRHBPCRHR2NQO2
SCHEMBL11192327 0.85 ALDH1A1 (0.50) KMT2AMEN1TDP1NQO2NPC1
SCHEMBL6675975 0.85 NQO2 (0.48) KMT2AMEN1CRHBPCRHR2TDP1
SCHEMBL7500051 0.84 KMT2A (0.59) KMT2AMEN1NQO2NPC1RAB9A
SCHEMBL5170527 0.83 CTSB (0.54) KMT2AMEN1CRHBPCRHR2TDP1
SCHEMBL9827138 0.82 KMT2A (0.55) KMT2AMEN1CRHBPCRHR2TDP1
SCHEMBL25735701 0.82 NQO2 (0.46) KMT2AMEN1CRHBPCRHR2NQO2
SCHEMBL9212980 0.82 SMN1; SMN2 (0.52) KMT2AMEN1NQO2NPC1RAB9A
SCHEMBL11509750 0.82 APP (0.56) KMT2AMEN1CRHBPCRHR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-30 US disclosed
EP-1310479-B1 Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof WELLA AG (DE) 2004-10-27 EP disclosed
EP-1435949-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
EP-1310479-A1 Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof Wella Aktiengesellschaft (DE) 2003-05-14 EP disclosed
WO-2003032986-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
US-6461390-B1 Process for making 2-aminomethyl-1, 4-diaminobenzene and its salts and compositions and methods for dyeing keratin fibers using same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
EP-1110942-A2 Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof, and their use in dyeing composition for keratin fibers Wella Aktiengesellschaft (DE) 2001-06-27 EP disclosed
EP-0226072-B1 OXIDATION DYE CONTAINING 4-AMINO-2-AMINOMETHYL PHENOL Wella Aktiengesellschaft (DE) 1991-04-10 EP disclosed
US-4797130-A DYE DEVELOPERS GOOD FOR RED COLORING WELLA AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
EP-0226072-A1 Oxidation dye containing 4-amino-2-aminomethyl phenol Wella Aktiengesellschaft (DE) 1987-06-24 EP disclosed
WO-1987003475-A2 OXIDIZING HAIR DYER BASED ON 4-AMINO-2-AMINOMETHYLPHENOLS WELLA AKTIENGESELLSCHAFT (DE) 1987-06-18 WO 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-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors MAPK1, MAPK3, MAPK6 KMT2A 702/4885MEN1 3865/4885CRHBP 1522/4885

“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.