SCHEMBL2992205

SCHEMBL2992205

Nc1ccc(N)c(Cc2cccc(O)c2)c1CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD1 P21728 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ENPP2 Q13822 1/20 0.46
DHFR P00374 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
IDH1 O75874 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL2993413 0.85 MAOB (0.46) CYP3A4KMT2AKDM4EMAPTMEN1
SCHEMBL3065223 0.81 TDP1 (0.50) TAAR1KMT2AMAPTLMNAMEN1
SCHEMBL2988187 0.80 CA2 (0.52) TAAR1KMT2AKDM4EMAPTBLM
SCHEMBL2987810 0.79 IDH1 (0.48) DRD2DRD1TAAR1ENPP2DHFR
SCHEMBL30430665 0.74 DRD2 (0.65) DRD2DRD1TAAR1ENPP2CYP1A2
SCHEMBL351675 0.74 DRD2 (0.65) DRD2DRD1TAAR1ENPP2CYP1A2
SCHEMBL460054 0.74 TDP1 (0.38) CYP3A4ALOX15KMT2AKDM4EMAPT
SCHEMBL2987811 0.74 CYP3A4 (0.48) CYP3A4KMT2AKDM4EMAPTMEN1
SCHEMBL564996 0.73 KDM4E (0.74) DRD2DRD1TAAR1ENPP2DHFR
SCHEMBL70267 0.72 ENPP2 (0.65) DRD2DRD1TAAR1ENPP2DHFR

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 DRD2 3066/4885DRD1 2553/4885TAAR1 3349/4885

“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.