SCHEMBL6703233

SCHEMBL6703233

O=C(O)c1ccc(CN2C=Nc3[nH]c(C#CCc4ccccc4)nc3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
SLC6A3 Q01959 1/20 0.36
TPH1 P17752 1/20 0.35
TPH2 Q8IWU9 1/20 0.35
PTGER4 P35408 2/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 3/20 0.32
AGTR1 P30556 2/20 0.32
AGTR2 P50052 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TAS2R14 Q9NYV8 2/20 0.32
CXCR3 P49682 1/20 0.32
TP53 P04637 1/20 0.32
PABPC1 P11940 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL6704154 0.78 MMP13 (0.39) MMP13SLC22A8SLC6A3PTGER4LTA4H
SCHEMBL6700586 0.77 PTGER4 (0.46) MMP13PTGER4ALDH1A1MEN1KMT2A
SCHEMBL6700337 0.72 MMP13 (0.41) MMP13SLC22A8PTGER4ALDH1A1MEN1
SCHEMBL6702239 0.72 MMP13 (0.41) MMP13SLC22A8SLC6A3PTGER4ALDH1A1
SCHEMBL6702349 0.70 CLPP (0.35) SLC6A3ALDH1A1TP53KDM4E
SCHEMBL6488588 0.68 L3MBTL1 (0.35) MMP13LTA4HALDH1A1AGTR1AGTR2
SCHEMBL6699557 0.67 TP53 (0.47) PTGER4ALDH1A1MEN1KMT2ATP53
SCHEMBL6818741 0.67 MMP13 (0.44) MMP13PTGER4TAS2R14CXCR3
SCHEMBL6699803 0.65 PTGER4 (0.48) MMP13PTGER4ALDH1A1
SCHEMBL6699527 0.65 ENPP2 (0.36) MMP13SLC22A8PTGER4AGTR1AGTR2

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 2959/4885SLC6A3 4827/4885

“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.