SCHEMBL900753

SCHEMBL900753

COCc1cc([N+](=O)[O-])ccc1NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.66
KMT2A Q03164 11/20 0.66
MEN1 O00255 10/20 0.66
CRHBP P24387 4/20 0.66
CRHR2 Q13324 4/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2D6 P10635 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
GAA P10253 2/20 0.60
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.54
CYP19A1 P11511 2/20 0.51
ALPG P10696 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
PTPRF P10586 1/20 0.49

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
SCHEMBL27376900 0.83 MAPT (0.67) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL8370786 0.81 MAPT (0.64) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL2059682 0.80 MAPT (1.00) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL4860161 0.79 TSHR (0.59) MAPTKMT2AMEN1GAAHTT
SCHEMBL27477066 0.79 MAPT (0.65) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL9395569 0.78 MAPT (0.72) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL900754 0.78 MAOB (0.55) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL14003601 0.77 ALDH1A1 (0.58) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL9395627 0.77 MAPT (0.70) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL3750282 0.77 MEN1 (0.70) MAPTKMT2AMEN1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621885-B1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE PROCTER & GAMBLE (US) 2014-10-29 EP claimed
US-8759589-B2 Methods of synthesizing 2-Methoxymethyl-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2014-06-24 US claimed
EP-2621885-A1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE The Procter and Gamble Company (US) 2013-08-07 EP claimed
US-20120130128-A1 Methods of Synthesizing 2-Methoxymethyl-1,4-Benzenediamine WELLA OPERATIONS US, LLC 2012-05-24 US claimed
WO-2012044758-A1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO claimed
EP-2912008-B1 PROCESS FOR PREPARING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE AND SALTS THEREOF NOXELL CORP (US) 2020-08-05 EP disclosed
EP-2621885-B1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE PROCTER & GAMBLE (US) 2014-10-29 EP disclosed
EP-2621885-B1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE PROCTER & GAMBLE (US) 2014-10-29 EP 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-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
CN-103140465-A Methods of synthesizing 2-methoxymethyl-1,4-benzenediamine PROCTER & GAMBLE 2013-06-05 CN 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
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
WO-2012044758-A1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed
WO-2012044758-A1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed
WO-2012044758-A1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 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-20120130128-A1 Methods of Synthesizing 2-Methoxymethyl-1,4-Benzenediamine HNMT, PNMT, BHMT2 MAPT 4402/4885KMT2A 75/4885MEN1 765/4885

“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.