SCHEMBL6069396

SCHEMBL6069396

Nc1ccc(OCCO)c(NCc2cc(O)ccc2O)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.44
HKDC1 Q2TB90 2/20 0.39
RGS12 O14924 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LCK P06239 1/20 0.38
MAPT P10636 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 1/20 0.38
HSP90AA1 P07900 1/20 0.36

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 SCHEMBL6069539 0.99 EGFR (0.43) EGFRHKDC1RGS12ALDH1A1LCK
SCHEMBL6069748 0.94 IDO1 (0.40) EGFRALDH1A1MAPTTDP1IDO1
SCHEMBL6069142 0.86 CA12 (0.49) ALDH1A1MAPTTDP1IDO1
Hydrochloric Acid SCHEMBL6069070 0.85 CA12 (0.48) ALDH1A1MAPTIDO1
SCHEMBL6069135 0.83 MAPT (0.41) ALDH1A1MAPTTDP1IDO1HSP90AA1
Hydrochloric Acid SCHEMBL6069051 0.82 MAPT (0.40) ALDH1A1MAPTIDO1HSP90AA1
SCHEMBL6270630 0.82 MAPT (0.38) ALDH1A1MAPTTDP1IDO1
Hydrochloric Acid SCHEMBL6744211 0.81 KDM4E (0.40) ALDH1A1MAPTTDP1IDO1
SCHEMBL6069237 0.80 CYP1A2 (0.43) EGFRALDH1A1MAPTTDP1
SCHEMBL6069176 0.80 CA12 (0.48) ALDH1A1MAPT

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 EGFR 1466/4885HKDC1 134/4885RGS12 4615/4885

“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.