SCHEMBL4818409

SCHEMBL4818409

COC(=O)C(CSCc1ccccc1)Nc1ccc(N)cc1C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ELANE P08246 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
METAP2 P50579 1/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
ACE P12821 3/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4816519 0.92 ELANE (0.52) MAPTELANECYP1A2CYP2C9CYP2C19
SCHEMBL4816414 0.82 ELANE (0.48) MAPTELANEMETAP2PPARAPPARG
SCHEMBL4820948 0.80 MAPT (0.46) MAPTELANEMETAP2PPARAPPARG
SCHEMBL4825569 0.79 CYP1A2 (0.41) MAPTELANECYP1A2CYP2C9CYP2C19
SCHEMBL8458627 0.78 METAP2 (0.50) ELANEMETAP2PPARAPPARGACE
SCHEMBL5930463 0.76 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4816301 0.76 ELANE (0.58) MAPTELANEMETAP2PPARAPPARG
SCHEMBL4823252 0.75 USP2 (0.58) MAPTCYP1A2CYP2C9CYP2C19GAA
SCHEMBL6099637 0.74 CYP2C9 (0.44) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6099965 0.74 MAPT (0.40) MAPTELANECYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US claimed
US-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'OREAL S.A. (FR) 2006-01-12 US claimed
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed
US-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'OREAL S.A. (FR) 2006-01-12 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-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof KRT18, CDC73, DSG1 MAPT 2238/4885ELANE 2819/4885CYP1A2 3896/4885

“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.