SCHEMBL863399

SCHEMBL863399

COCc1cc([N+](=O)[O-])ccc1OCC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
CYP19A1 P11511 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
CCR5 P51681 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.43
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL18216619 0.81 TDP1 (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6677228 0.81 RAB9A (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4859909 0.78 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL903286 0.78 TDP1 (0.48) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL15330091 0.77 ERN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL863443 0.76 HTT (0.57) KMT2AALDH1A1MAPTLMNATDP1
SCHEMBL15362097 0.76 PTGDR2 (0.63) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6688354 0.76 ALDH1A1 (0.53) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL863466 0.75 GPR35 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL881185 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9216945-B2 Methods of synthesizing 2-substituted-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2015-12-22 US disclosed
US-9216945-B2 Methods of synthesizing 2-substituted-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2015-12-22 US disclosed
US-8759589-B2 Methods of synthesizing 2-Methoxymethyl-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2014-06-24 US disclosed
US-8759589-B2 Methods of synthesizing 2-Methoxymethyl-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2014-06-24 US disclosed
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE THE PROCTOR & GAMBLE COMPANY (US) 2014-03-20 US disclosed
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE THE PROCTOR & GAMBLE COMPANY (US) 2014-03-20 US disclosed
US-20120130128-A1 Methods of Synthesizing 2-Methoxymethyl-1,4-Benzenediamine WELLA OPERATIONS US, LLC 2012-05-24 US disclosed
US-20120130128-A1 Methods of Synthesizing 2-Methoxymethyl-1,4-Benzenediamine WELLA OPERATIONS US, LLC 2012-05-24 US disclosed
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 disclosed
US-6648923-B1 Ready to apply WELLA AKTIENGESELLSCHAFT (DE) 2003-11-18 US disclosed
US-6558433-B2 Oxidation hair dye WELLA AG (DE) 2003-05-06 US 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
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

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-20120130128-A1 Methods of Synthesizing 2-Methoxymethyl-1,4-Benzenediamine HNMT, PNMT, BHMT2 MEN1 765/4885KMT2A 75/4885ALDH1A1 843/4885
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 MEN1 1222/4885KMT2A 225/4885ALDH1A1 308/4885
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE TYR, BTD, BRD4 MEN1 2291/4885KMT2A 626/4885ALDH1A1 837/4885

“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.