SCHEMBL6502433

SCHEMBL6502433

COc1cccc(COC(=O)N2CCc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.46
PTGDR2 Q9Y5Y4 5/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
CLPP Q16740 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC10 Q969S8 1/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
GNRHR P30968 1/20 0.42
FABP4 P15090 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
SCHEMBL6485852 0.91 HDAC1 (0.51) CXCR3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL6528676 0.90 HDAC1 (0.54) CXCR3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL6495720 0.86 TP53 (0.45) CXCR3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL6489979 0.85 HDAC1 (0.52) CXCR3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL6487407 0.85 CLPP (0.53) CXCR3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL6494740 0.85 HDAC1 (0.54) CXCR3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL6533092 0.85 HDAC1 (0.51) CXCR3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL6488384 0.85 HDAC1 (0.49) CXCR3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL6488570 0.83 HDAC1 (0.52) CXCR3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL6487938 0.82 HDAC1 (0.51) CXCR3PTGDR2HDAC1HDAC6TMEM97

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 2 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

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 CXCR3 281/4885PTGDR2 591/4885HDAC1 199/4885

“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.