SCHEMBL863443

SCHEMBL863443

COCc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
TDP1 Q9NUW8 5/20 0.56
ALDH1A1 P00352 7/20 0.53
CYP3A4 P08684 3/20 0.53
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.49
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.44
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
IDO1 P14902 2/20 0.43
LCK P06239 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
APOBEC3A P31941 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL28641504 0.86 TDP1 (0.53) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL792497 0.83 ALDH1A1 (0.56) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL11317000 0.83 HTT (0.49) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL460989 0.82 HTT (0.66) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL791991 0.81 HTT (0.44) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL863170 0.81 HSD17B10 (0.55) HTTTDP1ALDH1A1CYP3A4GAA
SCHEMBL18216619 0.81 TDP1 (0.58) HTTTDP1ALDH1A1CYP3A4MAPT
SCHEMBL863466 0.81 GPR35 (0.51) TDP1ALDH1A1TSHRGAATHRB
SCHEMBL2474262 0.81 ALDH1A1 (0.51) HTTTDP1ALDH1A1TSHRGAA
SCHEMBL29625924 0.81 ALDH1A1 (0.51) HTTTDP1ALDH1A1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309185-B2 Process for preparing primary intermediates for dyeing keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2016-04-12 US claimed
US-9012691-B2 Process for preparing primary intermediates for dyeing keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2015-04-21 US claimed
US-20140121414-A1 Process for Preparing Primary Intermediates for Dyeing Keratin Fibers THE PROCTER & GAMBLE COMPANY (US) 2014-05-01 US claimed
US-20140121415-A1 Process for Preparing Primary Intermediates for Dyeing Keratin Fibers THE PROCTER & GAMBLE COMPANY (US) 2014-05-01 US claimed
EP-1103542-B1 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres WELLA AG (DE) 2004-04-28 EP claimed
US-20030041392-A1 Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same Wella GmbH (DE) 2003-03-06 US claimed
EP-1103542-A2 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres Wella Aktiengesellschaft (DE) 2001-05-30 EP claimed
JP-2067527-A None JP disclosed
JP-2247620-A None JP disclosed
EP-2912008-B1 PROCESS FOR PREPARING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE AND SALTS THEREOF NOXELL CORP (US) 2020-08-05 EP disclosed
EP-2621888-B1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE NOXELL CORP (US) 2018-09-12 EP disclosed
WO-2017095677-A1 PROCESS FOR THE PREPARATION OF 2-ALKOXYMETHYL-1, 4-BENZENEDIAMINES THE PROCTER & GAMBLE COMPANY (US) 2017-06-08 WO disclosed
WO-2017095677-A1 PROCESS FOR THE PREPARATION OF 2-ALKOXYMETHYL-1, 4-BENZENEDIAMINES THE PROCTER & GAMBLE COMPANY (US) 2017-06-08 WO disclosed
US-20030041392-A1 Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same Wella GmbH (DE) 2003-03-06 US disclosed
EP-1103542-A3 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres Wella Aktiengesellschaft (DE) 2001-12-05 EP disclosed
JP-2001151739-A METHOD FOR PRODUCING 1,4-DIAMINO-2-METHOXYMETHYL- BENZENE AND ITS SALT, AND USE OF THESE COMPOUNDS AS DYESTUFF FOR KERATINOUS FIBER WELLA AG 2001-06-05 JP disclosed
EP-1103542-A2 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres Wella Aktiengesellschaft (DE) 2001-05-30 EP disclosed
EP-1103542-A2 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres Wella Aktiengesellschaft (DE) 2001-05-30 EP disclosed
JP-H02247620-A MOLECULAR CRYSTAL MIYATA SEIZO 1990-10-03 JP disclosed
JP-H0267527-A ORGANIC NONLINEAR OPTICAL MATERIAL MIYATA SEIZO 1990-03-07 JP 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-20030041392-A1 Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same KRT18, SCNN1B, DDAH1 HTT 2413/4885TDP1 1142/4885ALDH1A1 308/4885
US-20140121414-A1 Process for Preparing Primary Intermediates for Dyeing Keratin Fibers KRT18, VIM, F12 HTT 4312/4885TDP1 3382/4885ALDH1A1 306/4885
US-20140121415-A1 Process for Preparing Primary Intermediates for Dyeing Keratin Fibers KRT18, VIM, F12 HTT 4312/4885TDP1 3382/4885ALDH1A1 306/4885

“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.