SCHEMBL6486140

SCHEMBL6486140

O=c1c2c(ncn1Cc1ccccc1)CCN(CC#Cc1ccc(F)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 4/20 0.52
MMP13 P45452 9/20 0.50
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL6498298 0.96 CLPP (0.54) CLPPMMP13SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6494214 0.93 CLPP (0.59) CLPPMMP13SMN1; SMN2CYP1A2GAA
SCHEMBL6486230 0.91 CLPP (0.62) CLPPMMP13SMN1; SMN2TP53CYP1A2
SCHEMBL6485895 0.90 CLPP (0.52) CLPPMMP13SMN1; SMN2CYP1A2GAA
SCHEMBL6491039 0.90 CLPP (0.52) CLPPMMP13SMN1; SMN2CYP1A2GAA
SCHEMBL6500875 0.89 CLPP (0.53) CLPPMMP13SMN1; SMN2CYP1A2GAA
SCHEMBL6490608 0.88 CLPP (0.47) CLPPMMP13GAA
SCHEMBL6487777 0.88 CLPP (0.50) CLPPMMP13
SCHEMBL6497773 0.88 CLPP (0.50) CLPPMMP13SMN1; SMN2CYP1A2GAA
SCHEMBL6486742 0.88 CLPP (0.50) CLPPMMP13SMN1; SMN2MEN1KMT2A

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-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 3/4885SMN1; SMN2 969/4885

“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.