SCHEMBL6069414

SCHEMBL6069414

Nc1ccc(O)c(CNc2ccc(OCCO)c(N)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
RGS12 O14924 1/20 0.38
LCK P06239 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6738073 0.90 MAPT (0.42) ALDH1A1MAPTIDO1KDM4EMEN1
SCHEMBL6069748 0.83 IDO1 (0.40) EGFRALDH1A1MAPTIDO1KDM4E
SCHEMBL3242071 0.81 MAPT (0.50) ALDH1A1MAPTIDO1KDM4EMEN1
SCHEMBL6269606 0.81 IDH1 (0.38) ALDH1A1MAPTIDO1KDM4EMEN1
2,4-Diaminophenol SCHEMBL19327374 0.78 ALDH1A1 (0.56) ALDH1A1MAPTIDO1KDM4EMEN1
SCHEMBL6069396 0.78 EGFR (0.44) EGFRALDH1A1MAPTIDO1RGS12
SCHEMBL8522825 0.77 TDP1 (0.43) ALDH1A1MAPTIDO1KDM4EMEN1
Hydrochloric Acid SCHEMBL6069539 0.77 EGFR (0.43) EGFRALDH1A1MAPTIDO1RGS12
SCHEMBL7155647 0.76 EGFR (0.55) EGFRALDH1A1MAPTKDM4EMEN1
SCHEMBL6069324 0.76 KIT (0.46) MAPTIDO1MEN1TP53GAA

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 1466/4885ALDH1A1 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.