SCHEMBL6501655

SCHEMBL6501655

O=C(O)c1ccc(Cn2cnc3c(c2=O)CN(CC#Cc2ccccc2)CC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.54
CLPP Q16740 1/20 0.53
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 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
SCHEMBL6494214 0.91 CLPP (0.59) MMP13CLPPLMNA
SCHEMBL6500861 0.90 MMP13 (0.56) MMP13CLPPRAB9AMEN1KMT2A
SCHEMBL6497871 0.90 CLPP (0.55) MMP13CLPPLMNAMAPK1RAB9A
SCHEMBL6498298 0.89 CLPP (0.54) MMP13CLPPLMNAMEN1TP53
SCHEMBL6499196 0.89 CLPP (0.54) MMP13CLPPLMNA
SCHEMBL6500870 0.88 CLPP (0.52) MMP13CLPPLMNAMAPK1RAB9A
SCHEMBL6487633 0.88 CLPP (0.63) MMP13CLPP
SCHEMBL6495058 0.88 CLPP (0.54) MMP13CLPPLMNA
SCHEMBL6488378 0.88 CLPP (0.53) MMP13CLPPMAPK1
SCHEMBL6500917 0.87 CLPP (0.53) MMP13CLPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869958-B2 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-03-22 US claimed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 US claimed
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6869958-B2 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-03-22 US disclosed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 US disclosed
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE 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-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors MMP9, MMP3, MMP13 MMP13 3/4885CLPP 3602/4885LMNA 3536/4885

“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.