SCHEMBL2987240

SCHEMBL2987240

Cc1c(N)ccc(N)c1Cc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
ABAT P80404 1/20 0.40
RAB9A P51151 2/20 0.40
THRB P10828 2/20 0.40
THRA P10827 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 4/20 0.38
SLC6A2 P23975 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 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
SCHEMBL2990081 0.84 CYP3A4 (0.52) RAB9ANPC1POLBALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL2988167 0.82 CYP3A4 (0.50) POLBALDH1A1CYP2C19L3MBTL1CYP3A4
SCHEMBL3076273 0.80 CALM1 (0.44) KDM4EGAAMEN1POLBMAPT
SCHEMBL3480423 0.79 ESR1 (0.62) ESR1ESR2ABATRAB9ATHRB
SCHEMBL1121520 0.79 ESR1 (0.62) ESR1ESR2ABATRAB9ATHRB
SCHEMBL2987810 0.79 IDH1 (0.48) RAB9AKDM4EGAAMEN1POLB
SCHEMBL2981296 0.78 ALDH1A1 (0.56) POLBTAAR1ALDH1A1IDO1NPSR1
SCHEMBL2981535 0.78 ALDH1A1 (0.55) GAAALDH1A1CYP3A4ALOX15TDP1
Hydrochloric Acid SCHEMBL2984769 0.77 ALDH1A1 (0.54) POLBTAAR1ALDH1A1IDO1NPSR1
SCHEMBL2988187 0.76 CA2 (0.52) ESR1ESR2ABATRAB9AKDM4E

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 ESR1 4429/4885ESR2 3391/4885ABAT 2326/4885

“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.