SCHEMBL4824700

SCHEMBL4824700

CNS(=O)(=O)CCNc1ccc(N)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
HIF1A Q16665 1/20 0.41
HTT P42858 2/20 0.36
S100B P04271 1/20 0.36
TSHR P16473 1/20 0.35
IDO1 P14902 1/20 0.34
SOS1 Q07889 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MAPT P10636 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL14253805 0.86 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL4817857 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL4818365 0.83 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL4818362 0.83 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1THRBALOX15
Sulfuric Acid SCHEMBL28940940 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL2126641 0.80 CYP3A4 (0.53) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL4823195 0.79 S100B (0.44) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL4824024 0.79 CA1 (0.40) CYP3A4CA1CA2MAPTCA12
SCHEMBL14672041 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL4822315 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1THRBALOX15

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 ALDH1A1 1148/4885CYP3A4 3389/4885TDP1 2321/4885

“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.