SCHEMBL2979013

SCHEMBL2979013

Nc1ccc(NCc2ccc(N(CCO)CCO)cc2)c(CCO)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MITF O75030 1/20 0.35
PRUNE1 Q86TP1 1/20 0.32
CNR2 P34972 1/20 0.30
HDAC3 O15379 1/20 0.30
NCOR1 O75376 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL6141854 0.86 MITF (0.44) ALDH1A1TSHRTDP1MITF
SCHEMBL2988960 0.86 NOS1 (0.40) ALDH1A1TSHRTDP1MITF
SCHEMBL6740444 0.85 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL2993538 0.85 MITF (0.43) ALDH1A1TSHRTDP1MITF
SCHEMBL2983003 0.83 MAPT (0.37) ALDH1A1TSHRTDP1MITFPRUNE1
SCHEMBL7563743 0.82 ALDH1A1 (0.44) ALDH1A1TDP1MITF
SCHEMBL6141834 0.79 MITF (0.35) MITF
Hydrochloric Acid SCHEMBL2996463 0.78 MITF (0.34) MITF
SCHEMBL6258192 0.78 NCF1 (0.45) ALDH1A1PRUNE1
Hydrochloric Acid SCHEMBL2988970 0.77 NCF1 (0.44) ALDH1A1TDP1PRUNE1

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 4 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-1226107-B1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AG (DE) 2005-10-05 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

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 1728/4885TSHR 4852/4885TDP1 2966/4885

“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.