SCHEMBL2976642

SCHEMBL2976642

Nc1ccc(NCc2cccc(NCCO)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.46
FCGR1A P12314 1/20 0.46
FCGR2A P12318 1/20 0.46
NOS1 P29475 4/20 0.45
NOS2 P35228 2/20 0.45
HIF1A Q16665 2/20 0.43
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FFAR1 O14842 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 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
SCHEMBL2995322 0.84 MEN1 (0.44) FCGR3BFCGR1AFCGR2AFFAR1KDM4E
SCHEMBL5153716 0.82 MAOA (0.49) NOS1NOS2HIF1AHDAC8HDAC6
Hydrochloric Acid SCHEMBL866314 0.80 MAOA (0.47) NOS1NOS2HIF1AHDAC8HDAC6
Hydrochloric Acid SCHEMBL4954157 0.80 MAOA (0.47) NOS1NOS2HIF1AHDAC8HDAC6
SCHEMBL33766 0.80 APP (0.48) FCGR3BFCGR1AFCGR2AMEN1ALDH1A1
SCHEMBL2993170 0.79 CYP19A1 (0.55) NOS1NOS2HIF1AHDAC8HDAC6
SCHEMBL2990472 0.78 FFAR1 (0.39) NOS1HIF1AHDAC8HDAC6FFAR1
Hydrochloric Acid SCHEMBL21056194 0.78 APP (0.47) FCGR3BFCGR1AFCGR2AKDM4EMEN1
Hydrochloric Acid SCHEMBL8420321 0.78 APP (0.47) FCGR3BFCGR1AFCGR2AKDM4EMEN1
SCHEMBL2940046 0.78 HIF1A (0.61) HIF1AKDM4EMEN1ALDH1A1GAA

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 FCGR3B 4828/4885FCGR1A 4761/4885FCGR2A 4799/4885

“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.