SCHEMBL7541251

SCHEMBL7541251

CNc1ccc(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 17/20 0.64
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
ALDH1A1 P00352 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
DNMT1 P26358 1/20 0.47
DNMT3A Q9Y6K1 1/20 0.47

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
SCHEMBL29780388 0.86 VCAM1 (0.73) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL809482 0.86 VCAM1 (0.73) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL10452716 0.86 VCAM1 (0.73) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL27809726 0.83 VCAM1 (0.61) VCAM1ALDH1A1DNMT1DNMT3A
SCHEMBL12639368 0.83 VCAM1 (0.65) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL11876453 0.82 VCAM1 (0.58) VCAM1ALDH1A1
SCHEMBL7536581 0.82 VCAM1 (0.57) VCAM1ALDH1A1
SCHEMBL10719874 0.81 VCAM1 (0.63) VCAM1NPBWR1MCHR1ALDH1A1
SCHEMBL4001670 0.81 VCAM1 (0.64) VCAM1NPBWR1MCHR1ALDH1A1
Hydrochloric Acid SCHEMBL27825662 0.81 VCAM1 (0.57) VCAM1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US claimed

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-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents CYP46A1, TGFB1, NR1H2 VCAM1 51/4885NPBWR1 1953/4885MCHR1 3803/4885

“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.