SCHEMBL3087486

SCHEMBL3087486

CC(O)Oc1cccc(CNc2ccc(N)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.53
HIF1A Q16665 1/20 0.50
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
THRB P10828 2/20 0.48
PKM P14618 2/20 0.48
RAB9A P51151 2/20 0.48
BLM P54132 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
GNA15 P30679 1/20 0.46
PTGER3 P43115 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
HDAC4 P56524 1/20 0.46
MEF2D Q14814 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL2983422 0.83 MEN1 (0.45) FFAR1HIF1AMEN1ALDH1A1MAPT
SCHEMBL2987758 0.81 HIF1A (0.63) HIF1AMEN1ALDH1A1MAPTTHRB
SCHEMBL5153716 0.77 MAOA (0.49) FFAR1HIF1AMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4954157 0.76 MAOA (0.47) FFAR1HIF1AMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL866314 0.76 MAOA (0.47) FFAR1HIF1AMEN1ALDH1A1MAPT
SCHEMBL3684545 0.76 BCHE (0.58) FFAR1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL2993170 0.74 CYP19A1 (0.55) HIF1AMEN1ALDH1A1MAPTTHRB
SCHEMBL4176962 0.73 MAPT (0.63) FFAR1HIF1AMEN1ALDH1A1MAPT
SCHEMBL2940046 0.73 HIF1A (0.61) HIF1AMEN1ALDH1A1MAPTTHRB
SCHEMBL515972 0.73 MAPK1 (0.50) ALDH1A1L3MBTL1KDM4EGAATDP1

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 FFAR1 4657/4885HIF1A 3295/4885MEN1 4053/4885

“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.