SCHEMBL6069588

SCHEMBL6069588

Nc1ccc(OCCCO)c(NCc2ccc(O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
THRB P10828 2/20 0.40
ALOX12 P18054 2/20 0.40
SCN8A Q9UQD0 1/20 0.36
GAA P10253 6/20 0.35
BLM P54132 3/20 0.35
TP53 P04637 3/20 0.35
ATM Q13315 2/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
POLB P06746 4/20 0.34
CASP1 P29466 3/20 0.34
ALOX15 P16050 3/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 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
SCHEMBL6069135 0.93 MAPT (0.41) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6069187 0.93 MITF (0.38) MAPTKMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6069051 0.92 MAPT (0.40) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6070027 0.88 HDAC1 (0.41) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6069345 0.87 CACNA1B (0.38) MAPTKMT2AMEN1ALDH1A1
SCHEMBL6069127 0.86 KDM4E (0.35) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6069164 0.86 MITF (0.39) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6069404 0.86 MAPT (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6069325 0.86 KMT2A (0.39) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6069178 0.85 SYK (0.39) MAPTKMT2AALDH1A1KDM4EGAA

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 7 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
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 MAPT 469/4885KMT2A 2274/4885MEN1 2255/4885

“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.