SCHEMBL2991048

SCHEMBL2991048

Nc1ccc(NCc2ccc(N)cc2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.53
EGFR P00533 1/20 0.49
MAPT P10636 3/20 0.46
MAOB P27338 8/20 0.45
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
APP P05067 1/20 0.42
ALOX12 P18054 1/20 0.42
HIF1A Q16665 1/20 0.41
MAOA P21397 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PLEC Q15149 1/20 0.41

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
SCHEMBL2981070 0.89 EGFR (0.59) ADRA2BEGFRMAPTMAOBCA12
SCHEMBL2991426 0.85 EGFR (0.62) ADRA2BEGFRMAPTMAOBCA12
Hydrochloric Acid SCHEMBL2990403 0.84 EGFR (0.61) EGFRMAPTMAOBCA12CA1
SCHEMBL2995310 0.81 ADRA2B (0.51) ADRA2BEGFRMAPTMAOBCA12
SCHEMBL7157507 0.80 EGFR (0.56) ADRA2BEGFRMAPTMAOBCA12
SCHEMBL6340604 0.79 EGFR (0.54) ADRA2BEGFRMAPTCA1CA2
SCHEMBL2988180 0.79 EGFR (0.54) ADRA2BEGFRMAPTMAOBHIF1A
SCHEMBL2989135 0.79 EGFR (0.80) EGFRMAPTALDH1A1
SCHEMBL7163125 0.79 EGFR (0.74) EGFRMAPTMAOBCA12CA1
Hydrochloric Acid SCHEMBL2992201 0.77 EGFR (0.77) EGFRMAPTALDH1A1

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 ADRA2B 3354/4885EGFR 1413/4885MAPT 725/4885

“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.