SCHEMBL6702239

SCHEMBL6702239

O=C(O)c1ccc(CN2C=Nc3oc(C#CCc4ccccc4)cc3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.41
SLC22A8 Q8TCC7 1/20 0.39
FABP4 P15090 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PTGER4 P35408 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
HCAR3 P49019 1/20 0.33
TAS2R14 Q9NYV8 3/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 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
HPGD P15428 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
SCHEMBL6699527 0.92 ENPP2 (0.36) MMP13SLC22A8PTGER4TAS2R14
SCHEMBL6698728 0.80 PTGER4 (0.47) MMP13ALDH1A1PTGER4SMN1; SMN2HPGD
SCHEMBL6700337 0.78 MMP13 (0.41) MMP13SLC22A8FABP4ALDH1A1PTGER4
SCHEMBL6705178 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6694967 0.73 MMP13 (0.46) MMP13SLC22A8FABP4ALDH1A1SLC6A3
SCHEMBL6701379 0.73 NSD2 (0.33) MMP13HPGD
SCHEMBL6700620 0.73 MMP13 (0.44) MMP13ALDH1A1PTGER4
SCHEMBL6818741 0.72 MMP13 (0.44) MMP13PTGER4TAS2R14CXCR3
SCHEMBL6703233 0.72 MMP13 (0.39) MMP13SLC22A8ALDH1A1SLC6A3PTGER4
SCHEMBL6704154 0.72 MMP13 (0.39) MMP13SLC22A8ALDH1A1SLC6A3PTGER4

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 2 patents. 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
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 13/4885SLC22A8 2959/4885FABP4 3566/4885

“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.