SCHEMBL2993170

SCHEMBL2993170

Nc1ccc(NCc2cccc(N)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.55
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
HTT P42858 1/20 0.44
EGFR P00533 1/20 0.44
IGF1R P08069 1/20 0.44
ELANE P08246 1/20 0.43
HIF1A Q16665 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BPTF Q12830 1/20 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
SCHEMBL5153716 0.92 MAOA (0.49) CYP19A1MAOAMAOBHTTHIF1A
Hydrochloric Acid SCHEMBL866314 0.90 MAOA (0.47) CYP19A1MAOAMAOBHTTHIF1A
Hydrochloric Acid SCHEMBL4954157 0.90 MAOA (0.47) CYP19A1MAOAMAOBHTTHIF1A
SCHEMBL17266296 0.89 MAOA (0.57) MAOAMAOBHTTELANEHIF1A
SCHEMBL8262002 0.87 HDAC4 (0.50) CYP19A1MAOAMAOBMEN1ALDH1A1
SCHEMBL11248387 0.86 MAOA (0.48) CYP19A1MAOAMAOBELANEKDM4E
Hydrochloric Acid SCHEMBL11247122 0.85 MAOA (0.50) CYP19A1MAOAMAOBELANEKDM4E
Hydrochloric Acid SCHEMBL11247111 0.85 MAOA (0.50) CYP19A1MAOAMAOBELANEKDM4E
SCHEMBL6755669 0.84 ADRA2B (0.54) CYP19A1MAOAMAOBEGFRIGF1R
SCHEMBL2940046 0.84 HIF1A (0.61) MAOAMAOBEGFRHIF1AKDM4E

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 CYP19A1 4546/4885MAOA 2451/4885MAOB 2097/4885

“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.