SCHEMBL4824656

SCHEMBL4824656

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
METAP2 P50579 1/20 0.47
PPARA Q07869 4/20 0.40
PPARG P37231 2/20 0.40
ACE P12821 2/20 0.40
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPRT1 P00492 1/20 0.38
TACR1 P25103 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
SCHEMBL4820948 0.92 MAPT (0.46) ELANEMETAP2PPARAPPARGACE
SCHEMBL4816301 0.86 ELANE (0.58) ELANEMETAP2PPARAPPARGACE
SCHEMBL8458621 0.84 METAP2 (0.50) ELANEMETAP2PPARAPPARGACE
SCHEMBL4816519 0.80 ELANE (0.52) ELANEMETAP2PPARAPPARGACE
SCHEMBL8458627 0.79 METAP2 (0.50) ELANEMETAP2PPARAPPARGACE
SCHEMBL5930675 0.79 CA12 (0.39) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4821873 0.78 ALDH1A1 (0.37) METAP2ACE
SCHEMBL5930595 0.77 L3MBTL1 (0.39) RAB9A
SCHEMBL4816414 0.77 ELANE (0.48) ELANEMETAP2PPARAPPARGACE
SCHEMBL4817666 0.76 PPID (0.50) METAP2

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 ELANE 2819/4885METAP2 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.