SCHEMBL6069345

SCHEMBL6069345

Nc1ccc(OCCO)c(NCc2ccc(OCCCO)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 10/20 0.38
APP P05067 1/20 0.37
XDH P47989 1/20 0.37
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
PDE2A O00408 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 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
SCHEMBL6069184 0.96 APP (0.40) CACNA1BAPPMEN1MAPTCRHBP
Hydrochloric Acid SCHEMBL6069646 0.95 APP (0.39) CACNA1BAPPMEN1MAPTCRHBP
SCHEMBL6069187 0.91 MITF (0.38) MEN1MAPTCRHBPKMT2ACRHR2
SCHEMBL6069164 0.90 MITF (0.39) APPMEN1MAPTCRHBPKMT2A
SCHEMBL6069404 0.89 MAPT (0.46) MEN1MAPTCRHBPKMT2ACRHR2
Hydrochloric Acid SCHEMBL6069441 0.88 MAPT (0.39) MEN1MAPTCRHBPKMT2ACRHR2
SCHEMBL6069182 0.88 MAPT (0.47) MEN1MAPTCRHBPKMT2ACRHR2
SCHEMBL6069588 0.87 MAPT (0.40) MEN1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL6069765 0.86 MAPT (0.46) MEN1MAPTCRHBPKMT2ACRHR2
SCHEMBL6070027 0.86 HDAC1 (0.41) MEN1MAPTCRHBPKMT2ACRHR2

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 7 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
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 CACNA1B 2531/4885APP 1668/4885XDH 2103/4885

“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.