SCHEMBL6502336

SCHEMBL6502336

O=c1c2c(ncn1Cc1ccc(-c3ccco3)cc1)CCN(CC#Cc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.49
MMP13 P45452 9/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
ADAM17 P78536 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
USP7 Q93009 1/20 0.33
HTT P42858 1/20 0.33
GRM5 P41594 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
SCHEMBL6487334 0.90 CLPP (0.44) CLPPMMP13KDM4EALDH1A1POLB
SCHEMBL6497871 0.89 CLPP (0.55) CLPPMMP13ADORA2AHTT
SCHEMBL6494214 0.87 CLPP (0.59) CLPPMMP13KDM4EADORA2AHTT
SCHEMBL6496249 0.87 CLPP (0.50) CLPPMMP13ADORA2AHTT
SCHEMBL6493978 0.86 CLPP (0.52) CLPPMMP13KDM4EHSD17B10HTT
SCHEMBL6499196 0.85 CLPP (0.54) CLPPMMP13KDM4EALDH1A1POLB
SCHEMBL6498298 0.85 CLPP (0.54) CLPPMMP13KDM4EALDH1A1MAPT
SCHEMBL6498112 0.84 CLPP (0.49) CLPPMMP13ALDH1A1POLBMAPT
SCHEMBL6495058 0.84 CLPP (0.54) CLPPMMP13KDM4EADORA2AHTT
SCHEMBL6487633 0.84 CLPP (0.63) CLPPMMP13HTT

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 CLPP 3602/4885MMP13 3/4885KDM4E 1030/4885

“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.