SCHEMBL2991022

SCHEMBL2991022

CC(=O)Nc1cccc(CNc2ccc(N)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
NPSR1 Q6W5P4 1/20 0.52
HIF1A Q16665 4/20 0.50
AOC3 Q16853 1/20 0.48
POLB P06746 1/20 0.48
NR4A1 P22736 1/20 0.48
RAB9A P51151 1/20 0.48
AURKB Q96GD4 2/20 0.47
CYP1A2 P05177 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
DAPK3 O43293 1/20 0.47
DYRK3 O43781 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
CHEK2 O96017 1/20 0.47
PRKCG P05129 1/20 0.47

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
SCHEMBL2983014 0.83 PKM (0.57) ALDH1A1HIF1AAOC3RAB9AMEN1
Hydrochloric Acid SCHEMBL2990515 0.82 PKM (0.55) ALDH1A1HIF1AAOC3RAB9AMEN1
SCHEMBL20731984 0.82 BRAF (0.51) ALDH1A1NPSR1AURKBPLK4CHEK1
SCHEMBL5153716 0.79 MAOA (0.49) ALDH1A1HIF1ARAB9AMEN1KMT2A
SCHEMBL1240649 0.79 BRAF (0.58) ALDH1A1NPSR1POLBNR4A1RAB9A
SCHEMBL2931524 0.79 HSD17B10 (0.57) ALDH1A1NPSR1POLBNR4A1RAB9A
SCHEMBL19222909 0.79 NPSR1 (0.56) ALDH1A1NPSR1AOC3POLBNR4A1
SCHEMBL8947527 0.79 NPSR1 (0.56) ALDH1A1NPSR1AOC3POLBNR4A1
Hydrochloric Acid SCHEMBL866314 0.78 MAOA (0.47) ALDH1A1HIF1ARAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL4954157 0.78 MAOA (0.47) ALDH1A1HIF1ARAB9AMEN1KMT2A

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 ALDH1A1 1728/4885NPSR1 2898/4885HIF1A 3295/4885

“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.