SCHEMBL6069540

SCHEMBL6069540

Nc1ccc(OCCO)c(NCc2ccccc2N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
GAA P10253 4/20 0.37
POLB P06746 2/20 0.36
IDO1 P14902 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
EGFR P00533 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
Hydrochloric Acid SCHEMBL6069302 0.99 KDM4E (0.38) KDM4EALDH1A1MAPTHPGDPTGDR2
SCHEMBL6069446 0.94 GAA (0.36) KDM4EALDH1A1MAPTHPGDPTGDR2
SCHEMBL6270630 0.89 MAPT (0.38) KDM4EALDH1A1MAPTHPGDPTGDR2
SCHEMBL6069142 0.88 CA12 (0.49) KDM4EALDH1A1MAPTHPGDGAA
Hydrochloric Acid SCHEMBL6744211 0.88 KDM4E (0.40) KDM4EALDH1A1MAPTHPGDPTGDR2
Hydrochloric Acid SCHEMBL6069070 0.87 CA12 (0.48) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6069421 0.86 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHPGDGAA
Hydrochloric Acid SCHEMBL6069870 0.85 ALDH1A1 (0.55) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6272725 0.84 GAA (0.39) KDM4EALDH1A1MAPTHPGDPTGDR2
SCHEMBL6069202 0.84 PTGDR2 (0.45) KDM4EALDH1A1MAPTHPGDPTGDR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074243-B2 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-11 US claimed
EP-1390341-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2004-02-25 EP claimed
US-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2003-10-02 US claimed
WO-2002096854-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-12-05 WO claimed
US-7074243-B2 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-11 US disclosed
EP-1390341-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2004-02-25 EP disclosed
US-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2003-10-02 US disclosed
WO-2002096854-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-12-05 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-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds KRT18, VIM, KPNB1 KDM4E 1903/4885ALDH1A1 601/4885MAPT 469/4885

“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.