SCHEMBL4820005

SCHEMBL4820005

NS(=O)(=O)CCNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RAB9A P51151 1/20 0.54
GAA P10253 1/20 0.51
GLA P06280 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50

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
SCHEMBL10341645 0.85 MAPT (0.60) MAPTCA1CA2ALDH1A1MEN1
SCHEMBL4816136 0.83 MAPT (0.59) MAPTCA1CA2ALDH1A1MEN1
SCHEMBL6255056 0.83 MAPT (0.59) MAPTCA1CA2ALDH1A1MEN1
SCHEMBL4819570 0.83 MAPT (0.59) MAPTCA1CA2ALDH1A1MEN1
SCHEMBL4824452 0.83 MAPT (0.63) MAPTCA1CA2ALDH1A1MEN1
SCHEMBL4819578 0.82 MAPT (0.57) MAPTCA1CA2ALDH1A1MEN1
SCHEMBL9003269 0.82 MAPT (0.70) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4825305 0.81 MAPT (0.54) MAPTCA1CA2ALDH1A1MEN1
SCHEMBL4825310 0.81 MAPT (0.64) MAPTCA1CA2ALDH1A1MEN1
SCHEMBL11194633 0.79 MAPT (0.61) MAPTALDH1A1MEN1KMT2ARAB9A

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-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 MAPT 2238/4885CA1 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.