SCHEMBL6069237

SCHEMBL6069237

Nc1ccc(OCCO)c(NCc2cccc(O)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
EGFR P00533 6/20 0.38
IGF1R P08069 4/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
RPS6KB1 P23443 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
TAAR1 Q96RJ0 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
Hydrochloric Acid SCHEMBL6069464 0.99 KMT2A (0.44) CYP1A2CYP3A4PKMALOX15NFKB1
SCHEMBL6069233 0.91 EGFR (0.46) KMT2AMAPTEGFRIGF1RAURKA
Hydrochloric Acid SCHEMBL6069382 0.90 EGFR (0.45) KMT2AKDM4EMAPTEGFRIGF1R
SCHEMBL6069667 0.88 CYP1A2 (0.41) CYP1A2CYP3A4PKMALOX15NFKB1
SCHEMBL6069202 0.87 PTGDR2 (0.45) KMT2AKDM4ELMNAMAPTEGFR
Hydrochloric Acid SCHEMBL6069400 0.86 PTGDR2 (0.44) KMT2AKDM4ELMNAMAPTEGFR
SCHEMBL6069135 0.86 MAPT (0.41) ALOX15MAPK1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL6069051 0.85 MAPT (0.40) ALOX15MAPK1KMT2AKDM4EMAPT
SCHEMBL6069218 0.85 EGFR (0.45) KMT2AMAPTEGFRIGF1RAURKA
SCHEMBL6069164 0.84 MITF (0.39) KMT2AKDM4ELMNAMAPTAURKA

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 CYP1A2 2895/4885CYP3A4 2664/4885PKM 63/4885

“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.