SCHEMBL6069748

SCHEMBL6069748

Nc1ccc(O)c(CNc2cc(N)ccc2OCCO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
PRKCI P41743 1/20 0.38
ACHE P22303 3/20 0.37
GAA P10253 3/20 0.35
LMNA P02545 1/20 0.35
EGFR P00533 2/20 0.35
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 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
SCHEMBL6069396 0.94 EGFR (0.44) IDO1EGFRMAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL6069539 0.92 EGFR (0.43) IDO1EGFRMAPTALDH1A1TDP1
SCHEMBL6069142 0.90 CA12 (0.49) IDO1GAALMNACA2CA12
Hydrochloric Acid SCHEMBL6069070 0.88 CA12 (0.48) IDO1GAALMNACA2CA12
SCHEMBL6270630 0.88 MAPT (0.38) IDO1GAALMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6744211 0.86 KDM4E (0.40) IDO1GAAMEN1KMT2AMAPT
SCHEMBL6069176 0.83 CA12 (0.48) GAALMNACA2CA12CA9
SCHEMBL6069414 0.83 EGFR (0.41) IDO1GAAEGFRCA2CA12
SCHEMBL6069540 0.83 KDM4E (0.39) IDO1GAAEGFRCA2CA12
SCHEMBL6069164 0.82 MITF (0.39) IDO1GAALMNAMEN1KMT2A

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 IDO1 3595/4885PRKCI 1159/4885ACHE 2635/4885

“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.