SCHEMBL6192017

SCHEMBL6192017

Oc1c(Cc2ccccc2)cnc2ccc(C#CCc3cccnc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.43
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PDPK1 O15530 2/20 0.38
AKT1 P31749 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL6195055 0.96 MMP13 (0.46) MMP13CYP11B1CYP11B2PDPK1AKT1
SCHEMBL6196256 0.91 MMP13 (0.50) MMP13
SCHEMBL6195801 0.90 MMP13 (0.46) MMP13PDPK1AKT1PIK3CDPIK3CA
SCHEMBL6196006 0.90 MMP13 (0.46) MMP13PDPK1AKT1PIK3CDPIK3CA
SCHEMBL6193074 0.85 MMP13 (0.47) MMP13
SCHEMBL6194911 0.85 MMP13 (0.46) MMP13
SCHEMBL6195366 0.85 MMP13 (0.46) MMP13
SCHEMBL6193855 0.85 MMP13 (0.46) MMP13
SCHEMBL6197248 0.85 MMP13 (0.47) MMP13
SCHEMBL6195377 0.85 MMP13 (0.55) MMP13CYP11B1CYP11B2PDPK1AKT1

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 3/4885CYP11B1 104/4885CYP11B2 114/4885

“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.