SCHEMBL3065223

SCHEMBL3065223

Nc1ccc(N)c(Cc2ccccc2)c1CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
CALM1 P0DP23 1/20 0.41
TSHR P16473 1/20 0.38
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 2/20 0.37
AOC3 Q16853 1/20 0.37
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
BCL2 P10415 1/20 0.35

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
SCHEMBL1498780 0.85 CALM1 (0.55) CALM1MAOBMAOAMEN1ALDH1A1
SCHEMBL2987811 0.85 CYP3A4 (0.48) TDP1TSHRMAOBMAOAMEN1
SCHEMBL2988187 0.83 CA2 (0.52) TDP1MEN1ALDH1A1GAAMAPT
SCHEMBL2993413 0.82 MAOB (0.46) TDP1MAOBMAOAMEN1ALDH1A1
SCHEMBL2992205 0.81 DRD2 (0.47) TDP1MEN1ALDH1A1LMNAGAA
SCHEMBL460054 0.81 TDP1 (0.38) TDP1TSHRMEN1ALDH1A1GAA
SCHEMBL2989188 0.79 FDPS (0.35) TDP1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL2407657 0.78 CALM1 (0.46) CALM1MAOBMAOAMEN1ALDH1A1
SCHEMBL11406170 0.76 CALM1 (0.44) CALM1MAOBMAOAMEN1ALDH1A1
SCHEMBL1704793 0.76 CALM1 (0.44) CALM1HTR2ASMN1; SMN2BCL2BCL2L1

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 3 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
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 TDP1 2966/4885CALM1 439/4885TSHR 4852/4885

“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.