SCHEMBL4820948

SCHEMBL4820948

COC(=O)C(CSCc1ccccc1)Nc1ccc(N)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
METAP2 P50579 1/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
ACE P12821 3/20 0.41
ELANE P08246 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4824656 0.92 ELANE (0.48) MAPTMETAP2PPARAPPARGACE
SCHEMBL4816414 0.85 ELANE (0.48) MAPTMETAP2PPARAPPARGACE
SCHEMBL4818409 0.80 MAPT (0.46) MAPTMETAP2PPARAPPARGACE
SCHEMBL4821873 0.79 ALDH1A1 (0.37) METAP2ACE
SCHEMBL4816301 0.78 ELANE (0.58) MAPTMETAP2PPARAPPARGACE
SCHEMBL5930672 0.76 CA12 (0.42) MAPTGAA
SCHEMBL14544522 0.76 MAPT (0.54) MAPTPPARAPPARGACE
SCHEMBL8458621 0.75 METAP2 (0.50) METAP2PPARAPPARGACEELANE
SCHEMBL4824615 0.75 TAS1R3 (0.49) GAAHTT
SCHEMBL6102882 0.74 CA12 (0.40) MAPT

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 2238/4885METAP2 559/4885PPARA 3095/4885

“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.