SCHEMBL6501587

SCHEMBL6501587

O=C(OCc1ccco1)N1CCc2ncn(Cc3ccccc3)c(=O)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
CLPP Q16740 1/20 0.40
POLB P06746 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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 0.89 TMEM97 (0.48) PKMCLPPCXCR3TMEM97SIGMAR1
SCHEMBL6494475 0.88 PKM (0.40) PKMCLPPHPGDALDH1A1MEN1
SCHEMBL6498687 0.86 PKM (0.42) PKMCLPPCXCR3TMEM97SIGMAR1
SCHEMBL6496293 0.86 PKM (0.42) PKMCLPPCXCR3TMEM97SIGMAR1
SCHEMBL6484876 0.84 KDR (0.41) PKMCLPPCXCR3TMEM97SIGMAR1
SCHEMBL6488059 0.84 CLPP (0.52) PKMCLPPHPGDALDH1A1TMEM97
SCHEMBL6489890 0.84 CXCR3 (0.45) PKMCLPPCXCR3TMEM97SIGMAR1
SCHEMBL6496740 0.84 PKM (0.42) PKMCLPPHPGDALDH1A1MEN1
SCHEMBL6501807 0.83 HDAC1 (0.44) PKMCLPPCXCR3TMEM97SIGMAR1
SCHEMBL6488326 0.83 PKM (0.54) PKMHPGDALDH1A1PTGDR2

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 606/4885CLPP 3602/4885POLB 1399/4885

“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.