SCHEMBL2988960

SCHEMBL2988960

CN(C)c1ccc(CNc2ccc(N)cc2CCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
SYK P43405 1/20 0.39
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 4/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6141854 0.87 MITF (0.44) ALDH1A1TDP1CYP3A4RAB9AMAPT
Hydrochloric Acid SCHEMBL2993538 0.86 MITF (0.43) ALDH1A1TDP1CYP3A4RAB9AMAPT
SCHEMBL2979013 0.86 ALDH1A1 (0.36) ALDH1A1TDP1MITFTSHR
SCHEMBL7563743 0.83 ALDH1A1 (0.44) CA1CA2ALDH1A1TDP1CYP3A4
SCHEMBL6258192 0.82 NCF1 (0.45) ALDH1A1NPC1RAB9AGAAL3MBTL1
Hydrochloric Acid SCHEMBL2988970 0.81 NCF1 (0.44) ALDH1A1TDP1CYP3A4NPC1RAB9A
SCHEMBL6141834 0.80 MITF (0.35) MITF
Hydrochloric Acid SCHEMBL2996463 0.79 MITF (0.34) MITF
SCHEMBL6141562 0.78 CYP19A1 (0.44)
SCHEMBL6259160 0.77 MITF (0.59) ALDH1A1TDP1CYP3A4NPC1RAB9A

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 4 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

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 NOS1 1179/4885CA1 2791/4885CA2 2166/4885

“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.