SCHEMBL4860025

SCHEMBL4860025

CCCC(CO)Nc1ccc(N)cc1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.40
TLR8 Q9NR97 6/20 0.40
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
RAD52 P43351 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CRHR1 P34998 1/20 0.36
KCNH2 Q12809 3/20 0.36
ALDH1A1 P00352 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
SCHEMBL4860226 0.91 TLR8 (0.44) TLR7TLR8CYP1A2MAPTCYP2C9
SCHEMBL3859936 0.89 SIGMAR1 (0.44) CYP1A2MAPTCYP2C9CYP2C19SIGMAR1
SCHEMBL4860836 0.88 FYN (0.44) CYP1A2MAPTCYP2C9CYP2C19SIGMAR1
Hydrochloric Acid SCHEMBL3859541 0.87 MAPT (0.43) CYP1A2MAPTCYP2C9CYP2C19SIGMAR1
SCHEMBL4854316 0.82 CYP1A2 (0.39) CYP1A2MAPTCYP2C9CYP2C19SIGMAR1
SCHEMBL4862775 0.78 SIGMAR1 (0.43) CYP1A2MAPTCYP2C9CYP2C19SIGMAR1
SCHEMBL14941288 0.76 MAPT (0.42) CYP1A2MAPTCYP2C9CYP2C19SIGMAR1
SCHEMBL25560558 0.76 TLR8 (0.45) TLR7TLR8MAPTKCNH2ALDH1A1
SCHEMBL3857396 0.75 MEN1 (0.43) CYP1A2MAPTCYP2C9CYP2C19SIGMAR1
SCHEMBL4862013 0.75 SIGMAR1 (0.41) CYP1A2MAPTCYP2C9CYP2C19SIGMAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US claimed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 US claimed
EP-1568355-A1 N-alkylhydroxilated secondary paraphenylenediamine which is ortho- and/or meta substituted, composition for dying keratinous fibres comprising this paraphenylenediamine, methods based on this composition and uses. L'OREAL (FR) 2005-08-31 EP claimed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US 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-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith KRT18, CDC73, TYR TLR7 1855/4885TLR8 1897/4885CYP1A2 904/4885

“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.