SCHEMBL4818407

SCHEMBL4818407

CS(=O)(=O)CCNc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA9 Q16790 6/20 0.42
CA12 O43570 5/20 0.42
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
PRMT1 Q99873 1/20 0.40
PKM P14618 1/20 0.40
CYP2D6 P10635 1/20 0.40
GAA P10253 1/20 0.39
KEAP1 Q14145 1/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL4824149 0.98 GAA (0.42) APPCA1CA2CA9CA12
SCHEMBL21338198 0.85 PRSS1 (0.42) APPCA1CA2CA9CA12
SCHEMBL4821832 0.84 RECQL (0.50) APPCA1CA2CA9CA12
SCHEMBL4824024 0.83 CA1 (0.40) APPCA1CA2CA9CA12
Hydrochloric Acid SCHEMBL4823442 0.82 RECQL (0.53) APPCA1CA2CA9CA12
SCHEMBL4825163 0.82 CYP2D6 (0.59) APPCA1CA2CA9CA12
SCHEMBL6150769 0.82 CA1 (0.45) CA1CA2CA9CA12MAPT
SCHEMBL12311331 0.82 ALDH1A1 (0.52) CA1CA2CA9CA12CYP2C19
SCHEMBL2447012 0.81 MAPT (0.44) APPCA1CA2CA9CA12
SCHEMBL4820994 0.80 CA1 (0.40) APPCA1CA2CA9CA12

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 8 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
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 APP 1311/4885CA1 1827/4885CA2 2100/4885

“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.