SCHEMBL6498358

SCHEMBL6498358

O=C(OCc1cc2ccccc2s1)N1CCc2ncn(Cc3ccccc3)c(=O)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
KDR P35968 1/20 0.41
CLPP Q16740 1/20 0.40
DHFR P00374 1/20 0.40
TP53 P04637 3/20 0.39
LMNA P02545 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
P2RX3 P56373 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CXCR3 P49682 2/20 0.37
FAAH O00519 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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 0.85 TMEM97 (0.48) PKMKDRCLPPDHFRPTGDR2
SCHEMBL6496740 0.84 PKM (0.42) PKMKDRCLPPDHFRTP53
SCHEMBL6484876 0.83 KDR (0.41) PKMKDRCLPPDHFRPTGDR2
SCHEMBL6497368 0.81 KDR (0.52) PKMKDRCLPPDHFRPTGDR2
SCHEMBL6488059 0.81 CLPP (0.52) PKMCLPPPTGDR2ALDH1A1HPGD
SCHEMBL6489890 0.81 CXCR3 (0.45) PKMKDRCLPPDHFRPTGDR2
SCHEMBL6501587 0.81 PKM (0.41) PKMKDRCLPPDHFRTP53
SCHEMBL6487429 0.81 DHFR (0.41) PKMKDRCLPPDHFRPTGDR2
SCHEMBL6501807 0.81 HDAC1 (0.44) PKMKDRCLPPDHFRPTGDR2
SCHEMBL6488326 0.81 PKM (0.54) PKMPTGDR2ALDH1A1HPGD

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 PKM 606/4885KDR 3681/4885CLPP 3602/4885

“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.