SCHEMBL6490049

SCHEMBL6490049

Cn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(C(=O)OCN1Cc3ccccc3C1)CC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.45
CXCR3 P49682 1/20 0.44
TP53 P04637 4/20 0.44
LMNA P02545 1/20 0.44
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL6496187 0.93 TMEM97 (0.46) CLPPCXCR3TP53LMNATMEM97
SCHEMBL6495693 0.92 CLPP (0.46) CLPPCXCR3TP53LMNATMEM97
SCHEMBL6499579 0.91 ALDH1A1 (0.47) CLPPCXCR3TP53LMNATMEM97
SCHEMBL6500183 0.88 TP53 (0.44) CLPPCXCR3TP53LMNATMEM97
SCHEMBL6528676 0.87 HDAC1 (0.54) CLPPCXCR3TP53LMNATMEM97
SCHEMBL6489979 0.83 HDAC1 (0.52) CLPPCXCR3TP53LMNATMEM97
SCHEMBL6487407 0.83 CLPP (0.53) CLPPCXCR3TP53TMEM97SIGMAR1
SCHEMBL6494740 0.82 HDAC1 (0.54) CLPPCXCR3TP53LMNATMEM97
SCHEMBL6488384 0.82 HDAC1 (0.49) CLPPCXCR3TP53LMNATMEM97
SCHEMBL6533092 0.82 HDAC1 (0.51) CLPPCXCR3TP53LMNATMEM97

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 3602/4885CXCR3 281/4885TP53 3469/4885

“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.