SCHEMBL2990622

SCHEMBL2990622

CN(C)c1ccc(CNc2ccc(N)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
NOS1 P29475 3/20 0.60
ALDH1A1 P00352 7/20 0.57
TDP1 Q9NUW8 4/20 0.57
MAPK1 P28482 4/20 0.57
ALOX15 P16050 3/20 0.57
TP53 P04637 2/20 0.57
CYP3A4 P08684 2/20 0.57
MAPT P10636 5/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
GFER P55789 2/20 0.49
CNR2 P34972 1/20 0.49
GAA P10253 4/20 0.47

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
SCHEMBL856237 0.91 CA1 (0.70) CA1CA2CA9NOS1ALDH1A1
SCHEMBL455536 0.84 MEN1 (0.50) CA1CA2CA9ALDH1A1TDP1
SCHEMBL5154356 0.84 MEN1 (0.50) CA1CA2CA9ALDH1A1TDP1
SCHEMBL3422016 0.84 MEN1 (0.50) CA1CA2CA9ALDH1A1TDP1
SCHEMBL855759 0.84 ALDH1A1 (0.62) CA1CA2CA9NOS1ALDH1A1
SCHEMBL855663 0.84 ALDH1A1 (0.64) CA1CA2CA9NOS1ALDH1A1
SCHEMBL3058855 0.83 CNR2 (0.71) CA1CA2CA9NOS1ALDH1A1
SCHEMBL854384 0.83 CA1 (0.57) CA1CA2CA9NOS1ALDH1A1
Hydrochloric Acid SCHEMBL4949253 0.82 MAOA (0.48) CA1CA2CA9ALDH1A1TDP1
Hydrochloric Acid SCHEMBL2985269 0.82 MAOA (0.48) CA1CA2CA9ALDH1A1TDP1

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-1226107-B1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AG (DE) 2005-10-05 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 CA1 2791/4885CA2 2166/4885CA9 982/4885

“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.