SCHEMBL6501807

SCHEMBL6501807

O=C(OCc1ccc(I)cc1)N1CCc2ncn(Cc3ccccc3)c(=O)c2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PKM P14618 1/20 0.43
CLPP Q16740 1/20 0.43
PTGDR2 Q9Y5Y4 8/20 0.43
DHFR P00374 1/20 0.43
CXCR3 P49682 1/20 0.43
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KDR P35968 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41

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
SCHEMBL6490708 0.94 TMEM97 (0.48) HDAC1HDAC6TMEM97SIGMAR1PKM
SCHEMBL6488059 0.91 CLPP (0.52) HDAC1HDAC6TMEM97SIGMAR1PKM
SCHEMBL6488032 0.91 HDAC1 (0.46) HDAC1HDAC6TMEM97SIGMAR1PKM
SCHEMBL6488326 0.91 PKM (0.54) PKMPTGDR2
SCHEMBL6489890 0.90 CXCR3 (0.45) HDAC1HDAC6TMEM97SIGMAR1PKM
SCHEMBL6490686 0.89 PTGDR2 (0.46) TMEM97SIGMAR1PKMPTGDR2
SCHEMBL6488619 0.88 PTGDR2 (0.44) HDAC1HDAC6TMEM97SIGMAR1PKM
SCHEMBL6491009 0.88 PKM (0.46) HDAC1HDAC6TMEM97SIGMAR1PKM
SCHEMBL6496700 0.84 TMEM97 (0.44) HDAC1HDAC6TMEM97SIGMAR1PKM
SCHEMBL6502552 0.84 PTGDR2 (0.46) TMEM97SIGMAR1CLPPPTGDR2OPRD1

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 5 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 claimed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 US claimed
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 503/4885TMEM97 3966/4885

“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.