SCHEMBL7586252

SCHEMBL7586252

O=C1CCSc2sc(Br)cc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
VHL P40337 1/20 0.40
ELOC Q15369 1/20 0.40
ELOB Q15370 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL28345475 0.73 CA2 (0.51) CA2KDM4EHTTVHLELOC
SCHEMBL7298398 0.72 GAA (0.39) CA2
SCHEMBL10511373 0.72 CA2 (0.71) CA2KDM4EHTTVHLELOC
SCHEMBL10512538 0.72 CA2 (0.71) CA2KDM4EHTTVHLELOC
SCHEMBL10512165 0.72 CA2 (1.00) CA2KDM4EHTTVHLELOC
SCHEMBL23042702 0.69 PBRM1 (0.31)
SCHEMBL28345538 0.68 CA2 (0.47) CA2KDM4EHTTVHLELOC
SCHEMBL7287314 0.67 ALDH1A1 (0.38) KDM4EHTTALDH1A1
SCHEMBL7298799 0.67 CA2 (0.45) CA2KDM4EHTTVHLELOC
SCHEMBL3138935 0.67 MEN1 (0.33) ALDH1A1

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-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials ABBOTT LABORATORIES 2002-04-25 US 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-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials NQO2, NQO1, NDUFA7 CA2 1595/4885KDM4E 3740/4885HTT 3932/4885

“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.