SCHEMBL4823307

SCHEMBL4823307

Nc1ccc(NCCNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
PRMT1 Q99873 2/20 0.60
KEAP1 Q14145 1/20 0.60
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.55
PKM P14618 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA12 O43570 4/20 0.54
CA9 Q16790 4/20 0.54
CYP2D6 P10635 1/20 0.51
RAB9A P51151 1/20 0.49
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL11403189 0.81 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1PRMT1MAPT
SCHEMBL8349568 0.80 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1KEAP1PKM
SCHEMBL4823872 0.80 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1PRMT1MAPT
SCHEMBL4823312 0.79 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL6804085 0.79 PRMT1 (0.88) ALDH1A1KMT2AMEN1PRMT1CYP3A4
SCHEMBL28440292 0.79 KEAP1 (0.53) ALDH1A1KMT2AMEN1PRMT1KEAP1
SCHEMBL7095970 0.77 MEN1 (0.68) ALDH1A1KMT2AMEN1CYP3A4MAPT
SCHEMBL19392344 0.77 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL4817793 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1PRMT1CYP3A4
SCHEMBL9452414 0.76 MAPT (0.61) ALDH1A1KMT2AMEN1CYP3A4MAPT

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 ALDH1A1 1148/4885KMT2A 2395/4885MEN1 3813/4885

“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.