SCHEMBL863341

SCHEMBL863341

COCc1cc(N)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
TSHR P16473 4/20 0.53
ALDH1A1 P00352 8/20 0.50
CYP3A4 P08684 3/20 0.50
RECQL P46063 1/20 0.50
ALOX15 P16050 2/20 0.49
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 5/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
PDE7A Q13946 1/20 0.39

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
SCHEMBL20855518 0.87 ALDH1A1 (0.54) TDP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL2767547 0.82 TSHR (0.60) TDP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL2765848 0.82 TSHR (0.60) TDP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL30797376 0.81 TSHR (0.56) TSHRALDH1A1CYP3A4MAPK1HSD17B10
Bromide SCHEMBL12983645 0.81 TSHR (0.58) TDP1TSHRALDH1A1CYP3A4RECQL
Bromide SCHEMBL27940668 0.81 TSHR (0.58) TDP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL17846885 0.80 TDP1 (0.46) TDP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL7737640 0.80 TDP1 (0.53) TDP1ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL863252 0.80 TSHR (0.53) TDP1TSHRALDH1A1MAPK1MAPT
SCHEMBL18498675 0.80 ACHE (0.39) TSHRALDH1A1CYP3A4MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621888-B1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE NOXELL CORP (US) 2018-09-12 EP disclosed
US-20170158608-A1 Process for the Preparation of 2-Alkoxymethyl-1,4-Benzenediamines THE PROCTER & GAMBLE COMPANY 2017-06-08 US disclosed
US-20170158608-A1 Process for the Preparation of 2-Alkoxymethyl-1,4-Benzenediamines THE PROCTER & GAMBLE COMPANY 2017-06-08 US 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-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-9216945-B2 Methods of synthesizing 2-substituted-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2015-12-22 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-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE THE PROCTOR & GAMBLE COMPANY (US) 2014-03-20 US disclosed
US-8618326-B2 Methods of synthesizing 2-substituted-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2013-12-31 US disclosed
EP-2621888-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE The Procter and Gamble Company (US) 2013-08-07 EP disclosed
CN-103124718-A Method for synthesizing 2-substituted-1, 4-diphenylamine PROCTER & GAMBLE 2013-05-29 CN disclosed
WO-2012050593-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE THE PROCTER & GAMBLE COMPANY (US) 2012-04-19 WO disclosed
US-20120078016-A1 Methods of Synthesizing 2-Substituted-1,4-Benzenediamine WELLA OPERATIONS US, LLC 2012-03-29 US disclosed
US-20120078016-A1 Methods of Synthesizing 2-Substituted-1,4-Benzenediamine WELLA OPERATIONS US, LLC 2012-03-29 US disclosed
US-20120078016-A1 Methods of Synthesizing 2-Substituted-1,4-Benzenediamine WELLA OPERATIONS US, LLC 2012-03-29 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-20170158608-A1 Process for the Preparation of 2-Alkoxymethyl-1,4-Benzenediamines CYP1A1, CYP4B1, CYP1B1 TDP1 2162/4885TSHR 1588/4885ALDH1A1 90/4885
US-20120078016-A1 Methods of Synthesizing 2-Substituted-1,4-Benzenediamine TYR, BTD, BRD4 TDP1 1055/4885TSHR 3127/4885ALDH1A1 837/4885
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE TYR, BTD, BRD4 TDP1 1055/4885TSHR 3127/4885ALDH1A1 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.