SCHEMBL6490010

SCHEMBL6490010

O=c1c2c(ncn1Cc1ccccc1)CCN(CC#Cc1cccs1)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADORA2A P29274 1/20 0.36
MMP13 P45452 5/20 0.35
HTT P42858 1/20 0.35
CYP11B2 P19099 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA2 P47869 1/20 0.34
GRM5 P41594 1/20 0.34

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 0.86 CLPP (0.59) CLPPSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL6500875 0.85 CLPP (0.53) CLPPSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL6487341 0.84 CLPP (0.51) CLPPMMP13GABRA1GABRA2
SCHEMBL6488378 0.83 CLPP (0.53) CLPPSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL6486230 0.83 CLPP (0.62) CLPPSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL6485895 0.82 CLPP (0.52) CLPPSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL6491039 0.82 CLPP (0.52) CLPPSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL6486140 0.82 CLPP (0.52) CLPPSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL6498112 0.81 CLPP (0.49) CLPPSMN1; SMN2CYP1A2GAACYP2C9
SCHEMBL6490661 0.81 CLPP (0.51) CLPPSMN1; SMN2CYP1A2GAACYP2C9

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 3602/4885SMN1; SMN2 969/4885CYP1A2 787/4885

“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.