SCHEMBL7536581

SCHEMBL7536581

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

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 19/20 0.57
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7540268 0.83 VCAM1 (0.58) VCAM1ALDH1A1
SCHEMBL7541251 0.82 VCAM1 (0.64) VCAM1ALDH1A1
SCHEMBL10384031 0.82 VCAM1 (0.65) VCAM1ALDH1A1
SCHEMBL7533291 0.82 TXNRD1 (0.58) VCAM1ALDH1A1MAPT
SCHEMBL27809726 0.77 VCAM1 (0.61) VCAM1ALDH1A1POLBMAPT
SCHEMBL3209835 0.77 VCAM1 (0.68) VCAM1ALDH1A1
SCHEMBL11876453 0.77 VCAM1 (0.58) VCAM1ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL27825662 0.76 VCAM1 (0.57) VCAM1ALDH1A1POLBMAPT
SCHEMBL9805806 0.74 VCAM1 (0.65) VCAM1ALDH1A1
SCHEMBL686821 0.73 VCAM1 (1.00) VCAM1ALDH1A1MAPT

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 51/4885ALDH1A1 1173/4885KDM4E 2230/4885

“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.