SCHEMBL6069347

SCHEMBL6069347

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRUNE1 Q86TP1 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
TSHR P16473 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MITF O75030 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31

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 SCHEMBL6069257 0.99 ALDH1A1 (0.33) PRUNE1ALDH1A1TDP1TSHRPTGDR2
SCHEMBL6069217 0.96 RARB (0.33) PRUNE1ALDH1A1TDP1TSHRPTGDR2
SCHEMBL6069246 0.89 ALDH1A1 (0.32) ALDH1A1GAA
Hydrochloric Acid SCHEMBL6069267 0.88 ALDH1A1 (0.31) ALDH1A1GAA
SCHEMBL6069164 0.87 MITF (0.39) ALDH1A1TDP1TSHRPTGDR2MITF
SCHEMBL6069411 0.87 SYK (0.41) ALDH1A1TDP1KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL6069441 0.86 MAPT (0.39) ALDH1A1TDP1TSHRPTGDR2MITF
SCHEMBL6069135 0.84 MAPT (0.41) ALDH1A1TDP1TSHRPTGDR2MITF
SCHEMBL6069184 0.84 APP (0.40) ALDH1A1PTGDR2MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL6069646 0.83 APP (0.39) ALDH1A1PTGDR2KDM4EMAPTKMT2A

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 PRUNE1 1281/4885ALDH1A1 601/4885TDP1 2008/4885

“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.