SCHEMBL6700337

SCHEMBL6700337

O=C(O)c1ccc(CN2C=Nc3sc(C#CCc4ccccc4)cc3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.41
SLC22A8 Q8TCC7 1/20 0.39
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
FABP4 P15090 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PTGER4 P35408 2/20 0.33
HCAR3 P49019 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TAS2R14 Q9NYV8 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CXCR3 P49682 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL6818741 0.93 MMP13 (0.44) MMP13PTGER4TAS2R14CXCR3
SCHEMBL6697998 0.90 MMP13 (0.45) MMP13ALDH1A1PTGER4TAS2R14NPC1
SCHEMBL6818750 0.86 MMP13 (0.37) MMP13PTGER4MEN1KMT2ATAS2R14
SCHEMBL6704154 0.80 MMP13 (0.39) MMP13SLC22A8HPGDLMNAALDH1A1
SCHEMBL6702239 0.78 MMP13 (0.41) MMP13SLC22A8HPGDFABP4ALDH1A1
SCHEMBL6700597 0.77 KDM4E (0.50) MMP13ALDH1A1PTGER4MEN1KMT2A
SCHEMBL6703233 0.72 MMP13 (0.39) MMP13SLC22A8ALDH1A1PTGER4MEN1
SCHEMBL6699527 0.71 ENPP2 (0.36) MMP13SLC22A8PTGER4TAS2R14TRPM8
SCHEMBL6696654 0.70 MMP13 (0.38) MMP13
SCHEMBL6702248 0.70 MMP13 (0.43) MMP13ALDH1A1PTGER4MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 13/4885SLC22A8 2959/4885HPGD 323/4885

“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.