SCHEMBL4818362

SCHEMBL4818362

Cc1cc(NCCS(=O)(=O)NCCO)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 1/20 0.37
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 2/20 0.34
APAF1 O14727 1/20 0.34
TDP2 O95551 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 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
Sulfuric Acid SCHEMBL6658121 0.84 ALDH1A1 (0.51) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL4824700 0.83 ALDH1A1 (0.41) ALDH1A1CYP3A4THRBALOX15RECQL
Sulfuric Acid SCHEMBL8751386 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL6342530 0.82 ALDH1A1 (0.54) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL4818365 0.81 ALDH1A1 (0.45) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL14253805 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4THRBALOX15RECQL
Sulfuric Acid SCHEMBL28940940 0.80 ALDH1A1 (0.44) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL4817857 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL4819692 0.80 IKBKB (0.43) ALDH1A1CYP3A4IDO1MAPTGAA
SCHEMBL4823899 0.79 ALDH1A1 (0.40) 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 4 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 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.