SCHEMBL6664243

SCHEMBL6664243

NCc1ccnc(OCCCS)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 19/20 0.59
LOX P28300 12/20 0.59
LOXL3 P58215 1/20 0.46
ROCK1 Q13464 1/20 0.40

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
SCHEMBL30931700 0.82 LOXL2 (0.62) LOXL2LOXLOXL3
SCHEMBL4934891 0.81 LOXL2 (0.67) LOXL2LOXLOXL3
SCHEMBL4343502 0.77 LOXL2 (0.56) LOXL2LOXLOXL3
SCHEMBL4933505 0.77 LOXL2 (0.70) LOXL2LOXLOXL3
Hydrochloric Acid SCHEMBL30931587 0.76 LOXL2 (0.54) LOXL2LOXLOXL3
Hydrochloric Acid SCHEMBL13570541 0.76 LOXL2 (0.54) LOXL2LOXLOXL3
SCHEMBL29104571 0.76 LOXL2 (0.54) LOXL2LOXLOXL3
SCHEMBL429686 0.75 LOXL2 (0.54) LOXL2LOXLOXL3
SCHEMBL4934020 0.75 LOXL2 (0.56) LOXL2LOXLOXL3
SCHEMBL449200 0.74 LOXL2 (1.00) LOXL2LOXLOXL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors JOHNSON ADAM RICHARD (US) 2004-04-01 US claimed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors JOHNSON ADAM RICHARD (US) 2004-04-01 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-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 LOXL2 249/4885LOX 395/4885LOXL3 198/4885

“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.