SCHEMBL2990132

SCHEMBL2990132

Nc1ccc(NCc2ccccc2N2CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 5/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 4/20 0.49
HTT P42858 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
ALOX15 P16050 3/20 0.49
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 1/20 0.49
KEAP1 Q14145 1/20 0.45
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
NCF1 P14598 1/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL27822058 0.87 GAA (0.50) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL6141865 0.87 P2RX7 (0.50) ALDH1A1GAAKDM4EMAPTHTT
Hydrochloric Acid SCHEMBL3072172 0.86 P2RX7 (0.49) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL5795219 0.86 KDM4E (0.52) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL27822053 0.85 KMT2A (0.54) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL27841323 0.84 L3MBTL1 (0.49) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL27822055 0.75 GAA (0.48) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL2983424 0.73 MAOA (0.51) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL28789735 0.73 KCNQ2 (0.58) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL27841319 0.73 MAPT (0.44) ALDH1A1GAAKDM4EMAPTHTT

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 1728/4885GAA 3243/4885KDM4E 1175/4885

“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.