SCHEMBL2990588

SCHEMBL2990588

Nc1ccc(NCc2ccc(N)c(O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.56
MEN1 O00255 3/20 0.53
POLB P06746 3/20 0.53
GAA P10253 3/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 1/20 0.53
INSR P06213 3/20 0.46
IGF1R P08069 3/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
SRC P12931 1/20 0.43
ALOX15 P16050 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
CASP1 P29466 2/20 0.42
BLM P54132 2/20 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
SCHEMBL6141567 0.88 ARG1 (0.73) ARG1MEN1POLBGAAMAPT
Hydrochloric Acid SCHEMBL2984845 0.86 ARG1 (0.71) ARG1MEN1POLBGAAMAPT
SCHEMBL5722041 0.86 MAPT (0.53) ARG1MEN1POLBGAAMAPT
SCHEMBL5177243 0.83 KDM4E (0.50) ARG1MEN1POLBGAAMAPT
SCHEMBL5154356 0.79 MEN1 (0.50) MEN1POLBGAAMAPTKMT2A
SCHEMBL3422016 0.79 MEN1 (0.50) MEN1POLBGAAMAPTKMT2A
SCHEMBL455536 0.79 MEN1 (0.50) MEN1POLBGAAMAPTKMT2A
SCHEMBL2475709 0.78 MAPT (0.67) ARG1MEN1POLBGAAMAPT
SCHEMBL18598523 0.78 MAPT (0.67) ARG1MEN1POLBGAAMAPT
SCHEMBL5175298 0.77 ARG1 (0.46) ARG1MEN1POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US disclosed
EP-1493731-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and these derivatives Wella Aktiengesellschaft (DE) 2005-01-05 EP disclosed
US-6689174-B2 FOR OXIDATIVELY DYEING HUMAN HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-02-10 US disclosed
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives CHASSOT LAURENT (CH) 2002-11-14 US disclosed
EP-1226107-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2002-07-31 EP disclosed
WO-2002018318-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-07 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-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives KRT18, KPNB1, VIM ARG1 1912/4885MEN1 4053/4885POLB 2037/4885

“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.