SCHEMBL2987241

SCHEMBL2987241

Nc1ccc(NCc2cccc(N3CCCC3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.58
▸ AGXT P21549 1/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ ALDH1A1 P00352 8/20 0.50
▸ MAPT P10636 8/20 0.50
▸ KDM4E B2RXH2 7/20 0.50
▸ L3MBTL1 Q9Y468 6/20 0.50
▸ GAA P10253 5/20 0.50
▸ HTT P42858 2/20 0.50
▸ PLA2G1B P04054 1/20 0.50
▸ ATG4B Q9Y4P1 1/20 0.50
▸ HDAC4 P56524 4/20 0.49
▸ MEF2D Q14814 4/20 0.49
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ MAPK1 P28482 4/20 0.47
▸ ALOX12 P18054 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ GFER P55789 1/20 0.45
▸ ALOX15 P16050 2/20 0.45

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
SCHEMBL30438836 0.87 PRMT6 (0.63) PRMT6AGXTMAP4K4ALDH1A1MAPT
SCHEMBL30438654 0.83 PRMT6 (0.58) PRMT6AGXTMAP4K4ALDH1A1MAPT
SCHEMBL2475972 0.82 GAA (0.63) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL2993170 0.80 CYP19A1 (0.55) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL5153716 0.79 MAOA (0.49) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL7578723 0.79 HDAC4 (0.46) PRMT6AGXTALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL4954157 0.78 MAOA (0.47) ALDH1A1MAPTKDM4EL3MBTL1GAA
Hydrochloric Acid SCHEMBL866314 0.78 MAOA (0.47) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL5621913 0.75 PRMT6 (0.97) PRMT6AGXTMAP4K4ALDH1A1MAPT
SCHEMBL20291749 0.75 PRMT6 (0.46) PRMT6AGXTMAP4K4ALDH1A1MAPT

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 PRMT6 1687/4885AGXT 3583/4885MAP4K4 647/4885

“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.

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