SCHEMBL6494740

SCHEMBL6494740

Cn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(C(=O)OCc1ccc(Br)cc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC10 Q969S8 1/20 0.51
CXCR3 P49682 1/20 0.47
TMEM97 Q5BJF2 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
CLPP Q16740 2/20 0.44
KRAS P01116 1/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.43
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6528676 0.94 HDAC1 (0.54) HDAC1HDAC6HDAC10CXCR3TMEM97
SCHEMBL6489979 0.92 HDAC1 (0.52) HDAC1HDAC6HDAC10CXCR3TMEM97
SCHEMBL6487407 0.92 CLPP (0.53) HDAC1HDAC6HDAC10CXCR3TMEM97
SCHEMBL6533092 0.91 HDAC1 (0.51) HDAC1HDAC6HDAC10CXCR3TMEM97
SCHEMBL6485852 0.90 HDAC1 (0.51) HDAC1HDAC6HDAC10CXCR3TMEM97
SCHEMBL6488570 0.89 HDAC1 (0.52) HDAC1HDAC6HDAC10CXCR3TMEM97
SCHEMBL6488384 0.89 HDAC1 (0.49) HDAC1HDAC6HDAC10CXCR3TMEM97
SCHEMBL6487938 0.88 HDAC1 (0.51) HDAC1HDAC6HDAC10CXCR3TMEM97
SCHEMBL6502433 0.85 CXCR3 (0.46) HDAC1HDAC6HDAC10CXCR3TMEM97
SCHEMBL6495693 0.84 CLPP (0.46) HDAC1HDAC6HDAC10CXCR3TMEM97

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 HDAC1 199/4885HDAC6 503/4885HDAC10 307/4885

“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.