SCHEMBL6069233

SCHEMBL6069233

Nc1cccc(CNc2cc(N)ccc2OCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.46
IGF1R P08069 7/20 0.46
AURKA O14965 2/20 0.40
RPS6KB1 P23443 1/20 0.40
BPTF Q12830 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
AURKB Q96GD4 1/20 0.38
TDO2 P48775 1/20 0.37
CYP19A1 P11511 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ABL1 P00519 1/20 0.36
BACE1 P56817 1/20 0.36
HTR6 P50406 1/20 0.36
HDAC8 Q9BY41 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 SCHEMBL6069382 0.99 EGFR (0.45) EGFRIGF1RAURKARPS6KB1BPTF
SCHEMBL6069218 0.93 EGFR (0.45) EGFRIGF1RAURKARPS6KB1BPTF
SCHEMBL6069237 0.91 CYP1A2 (0.43) EGFRIGF1RAURKARPS6KB1PTGDR2
SCHEMBL6069202 0.90 PTGDR2 (0.45) EGFRPTGDR2CYP19A1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL6069464 0.90 KMT2A (0.44) EGFRIGF1RAURKARPS6KB1PTGDR2
Hydrochloric Acid SCHEMBL6069400 0.89 PTGDR2 (0.44) EGFRPTGDR2MEN1ALDH1A1MAPT
SCHEMBL5980154 0.89 PTGDR2 (0.37) EGFRIGF1RAURKAPTGDR2AURKB
Hydrochloric Acid SCHEMBL454598 0.88 GAA (0.38) EGFRIGF1RAURKAPTGDR2AURKB
SCHEMBL6069164 0.87 MITF (0.39) AURKARPS6KB1PTGDR2CYP19A1MEN1
Hydrochloric Acid SCHEMBL6069441 0.86 MAPT (0.39) AURKARPS6KB1PTGDR2MEN1ALDH1A1

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 1466/4885IGF1R 4723/4885AURKA 2874/4885

“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.