SCHEMBL4821873

SCHEMBL4821873

Cc1cc(NC(CO)CSCc2ccccc2)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CXCR2 P25025 5/20 0.35
CX3CR1 P49238 4/20 0.35
METAP2 P50579 1/20 0.35
POLB P06746 2/20 0.34
ACE P12821 2/20 0.34

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
SCHEMBL3863727 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL4823294 0.82 IDO1 (0.37) ALDH1A1CYP3A4CXCR2CX3CR1ACE
Hydrochloric Acid SCHEMBL3858550 0.81 ALDH1A1 (0.49) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL4820948 0.79 MAPT (0.46) METAP2ACE
SCHEMBL4824656 0.78 ELANE (0.48) METAP2ACE
SCHEMBL4825569 0.78 CYP1A2 (0.41) ALDH1A1CXCR2CX3CR1METAP2ACE
SCHEMBL4859768 0.76 ALDH1A1 (0.44) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL4854335 0.76 ALDH1A1 (0.46) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL4854433 0.73 ALDH1A1 (0.44) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL4823221 0.72 CYP3A4 (0.38) ALDH1A1CYP3A4THRBALOX15RECQL

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
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 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 ALDH1A1 1148/4885CYP3A4 3389/4885THRB 4417/4885

“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.