Sugi Predict

Sugi Predict / Compounds / SCHEMBL4825310

SCHEMBL4825310

SCHEMBL4825310

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.64
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ ALDH1A1 P00352 7/20 0.52
▸ GAA P10253 1/20 0.52
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CA12 O43570 2/20 0.51
▸ CA4 P22748 2/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CA3 P07451 1/20 0.51
▸ CA6 P23280 1/20 0.51
▸ CA5A P35218 1/20 0.51
▸ CA13 Q8N1Q1 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ CA5B Q9Y2D0 1/20 0.51

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
SCHEMBL4824452 0.84 MAPT (0.63) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL10341645 0.82 MAPT (0.60) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL6250721 0.82 MAPT (0.57) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL4816136 0.81 MAPT (0.59) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL6255056 0.81 MAPT (0.59) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL4819570 0.81 MAPT (0.59) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL4820005 0.81 MAPT (0.59) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL4825546 0.81 MAPT (0.63) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL4819578 0.79 MAPT (0.57) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL9003269 0.79 MAPT (0.70) MAPTMEN1KMT2ARAB9AALDH1A1

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 2238/4885MEN1 3813/4885KMT2A 2395/4885

“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.