SCHEMBL863170

SCHEMBL863170

COCc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
VCAM1 P19320 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL3207157 0.93 HSD17B10 (0.47) HSD17B10LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL28695929 0.86 HSD17B10 (0.58) HSD17B10LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL7020172 0.83 HSD17B10 (0.50) HSD17B10LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL13241715 0.82 HSD17B10 (0.62) HSD17B10LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL3229064 0.81 HSD17B10 (0.49) HSD17B10LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL863443 0.81 HTT (0.57) LMNAALDH1A1MAPTHPGDCYP3A4
SCHEMBL11317000 0.81 HTT (0.49) LMNAALDH1A1MAPTHPGDCYP1A2
SCHEMBL792497 0.81 ALDH1A1 (0.56) HSD17B10ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL14439925 0.80 HSD17B10 (0.47) HSD17B10LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL18216619 0.80 TDP1 (0.58) LMNASMN1; SMN2ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103140465-B The method of synthesis 2-methoxymethyl-Isosorbide-5-Nitrae-phenylenediamine THE PROCTER & GAMBLE CO. (US) 2015-09-02 CN claimed
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
CN-103140465-A Methods of synthesizing 2-methoxymethyl-1,4-benzenediamine PROCTER & GAMBLE 2013-06-05 CN 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-2621888-B1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE NOXELL CORP (US) 2018-09-12 EP 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
CN-103140465-B The method of synthesis 2-methoxymethyl-Isosorbide-5-Nitrae-phenylenediamine THE PROCTER & GAMBLE CO. (US) 2015-09-02 CN disclosed
EP-2621885-B1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE PROCTER & GAMBLE (US) 2014-10-29 EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 US disclosed
US-5084449-A Bactericides and antiprotozoa agents DR. KARL THOMAE GMBH (DE) 1992-01-28 US disclosed
US-4992430-A Anti-bacterial compositions comprising a substituted bis-(4-aminophenyl)-sulfone and a dihydro-folic acid reductase DR. KARL THOMAE GMBH (DE) 1991-02-12 US disclosed
US-4829058-A INHIBITORS OF BACTERIA, MYCOBACTERIA AND PLASMODIA DR. KARL THOMAE GMBH (DE) 1989-05-09 US disclosed
EP-0165422-B1 SUBSTITUTED BIS-(4-AMINOPHENYL)-SULPHONES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1988-03-09 EP disclosed
EP-0165422-A1 Substituted bis-(4-aminophenyl)-sulphones, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1985-12-27 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-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 HSD17B10 699/4885LMNA 2857/4885SMN1; SMN2 3783/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS HSD17B10 260/4885LMNA 3313/4885SMN1; SMN2 2924/4885
US-20120130128-A1 Methods of Synthesizing 2-Methoxymethyl-1,4-Benzenediamine HNMT, PNMT, BHMT2 HSD17B10 1256/4885LMNA 3147/4885SMN1; SMN2 1951/4885

“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.