SCHEMBL4816353

SCHEMBL4816353

COC(=O)C(CCSC)Nc1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
PPID Q08752 1/20 0.50
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
HTT P42858 1/20 0.46
CASP1 P29466 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL14253849 1.00 GAA (0.53) GAAPPIDRECQLL3MBTL1HPGD
Hydrochloric Acid SCHEMBL4818351 0.99 GAA (0.52) GAAPPIDRECQLL3MBTL1HPGD
SCHEMBL4816369 0.89 PPID (0.63) GAAPPIDRECQLL3MBTL1HPGD
SCHEMBL2327386 0.87 USP2 (0.55) GAARECQLL3MBTL1HPGDCA12
SCHEMBL4824615 0.83 TAS1R3 (0.49) GAAPPIDRECQLL3MBTL1HPGD
SCHEMBL14253848 0.81 GAA (0.49) GAARECQLL3MBTL1HPGDCA12
SCHEMBL4820791 0.81 GAA (0.49) GAARECQLL3MBTL1HPGDCA12
SCHEMBL5930572 0.81 CA12 (0.52) GAAHPGDCA12CA1CA2
SCHEMBL8106910 0.81 L3MBTL1 (0.74) GAAPPIDL3MBTL1CA12CA1
SCHEMBL8367884 0.81 L3MBTL1 (0.74) GAAPPIDL3MBTL1CA12CA1

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-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
EP-1568687-A1 Sulphur-containing secondary para-Phenylenediamines, dying composition containing such para-phenylenediamines and methods using this composition and use L'OREAL (FR) 2005-08-31 EP 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 GAA 3991/4885PPID 369/4885RECQL 1254/4885

“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.