SCHEMBL4823312

SCHEMBL4823312

O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 1.00
MEN1 O00255 9/20 1.00
KMT2A Q03164 9/20 1.00
MAPT P10636 9/20 0.85
RAB9A P51151 1/20 0.78
GAA P10253 1/20 0.66
PKM P14618 4/20 0.65
LMNA P02545 3/20 0.59
CA2 P00918 2/20 0.57
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
HTT P42858 3/20 0.55
CYP19A1 P11511 1/20 0.52
CA1 P00915 1/20 0.52

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
SCHEMBL6803445 0.81 CA1 (0.77) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL21416015 0.80 MEN1 (0.66) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL9003269 0.79 MAPT (0.70) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4823307 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4818387 0.79 MAPT (0.75) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4823249 0.79 CA2 (0.90) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL4661775 0.78 CA2 (0.76) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL25340071 0.77 MEN1 (0.62) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL11403189 0.77 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL14061940 0.76 CA2 (0.69) ALDH1A1MEN1KMT2AMAPTGAA

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 ALDH1A1 1148/4885MEN1 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.