SCHEMBL6211571

SCHEMBL6211571

Oc1c(Cc2ccccc2)cnc2ccc(C#CCc3ccc4occc4c3)cc12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.39
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL6212629 0.96 MMP13 (0.41) MMP13AURKARPS6KB1IDO1
SCHEMBL6197213 0.86 MMP13 (0.40) MMP13
SCHEMBL6194302 0.85
SCHEMBL6196256 0.85 MMP13 (0.50) MMP13
SCHEMBL6194013 0.82 MMP13 (0.42) MMP13
SCHEMBL6843302 0.81
SCHEMBL6210773 0.81 GRIN1 (0.39) MMP13
SCHEMBL6195176 0.81 MMP13 (0.39) MMP13
SCHEMBL6194911 0.81 MMP13 (0.46) MMP13
SCHEMBL6195377 0.81 MMP13 (0.55) MMP13

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
EP-1539163-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 US disclosed
WO-2004014377-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors MMP9, MMP8, MMP13 MMP13 3/4885AURKA 4817/4885RPS6KB1 2305/4885

“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.