SCHEMBL2987758

SCHEMBL2987758

COc1cccc(CNc2ccc(N)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.63
MAPT P10636 6/20 0.62
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
GAA P10253 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NOS1 P29475 1/20 0.56
TAAR1 Q96RJ0 1/20 0.54
ABCB1 P08183 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
APP P05067 1/20 0.52
EGFR P00533 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
CHRM2 P08172 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
IGF1R P08069 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL1134085 0.85 HIF1A (0.76) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL30373777 0.85 HIF1A (0.76) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL4176962 0.85 MAPT (0.63) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL13812986 0.84 MAPT (0.59) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL25547419 0.84 HIF1A (0.63) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL24097464 0.83 MAPT (0.68) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL6695006 0.83 MAPT (0.68) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL5153716 0.83 MAOA (0.49) HIF1AMAPTKDM4EALDH1A1GAA
SCHEMBL3087486 0.81 FFAR1 (0.53) HIF1AMAPTKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL4954157 0.81 MAOA (0.47) HIF1AMAPTKDM4EALDH1A1GAA

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 HIF1A 3295/4885MAPT 725/4885KDM4E 1175/4885

“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.