SCHEMBL6700340

SCHEMBL6700340

Cn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2oc(C#CCc3ccccc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HIF1A Q16665 4/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
GPR18 Q14330 1/20 0.41
THRB P10828 1/20 0.41
PKM P14618 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 1/20 0.41
HTT P42858 2/20 0.40
STAT6 P42226 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
SCHEMBL6703297 0.86 MMP13 (0.42) MMP13SLC22A8ALDH1A1HIF1AHPGD
SCHEMBL6704878 0.82 MMP13 (0.48) MMP13SLC22A8GPR18MAPTADORA3
SCHEMBL6697068 0.80 MMP13 (0.46) MMP13SLC22A8GPR18MAPTHTT
SCHEMBL6699411 0.80 NPSR1 (0.38) MMP13SLC22A8ALDH1A1MEN1KMT2A
SCHEMBL6702361 0.78 NPSR1 (0.43) ALDH1A1HIF1AHPGDMEN1KMT2A
SCHEMBL6392558 0.77 MMP13 (0.72) MMP13SLC22A8
SCHEMBL6701186 0.76 MMP13 (0.41) MMP13SLC22A8ALDH1A1HIF1AHPGD
SCHEMBL6702169 0.76 MMP13 (0.41) MMP13SLC22A8ALDH1A1HIF1AMEN1
SCHEMBL6681942 0.76 MMP13 (0.46) MMP13SLC22A8ALDH1A1GPR18PKM
SCHEMBL6843728 0.76 MMP13 (0.48) MMP13SLC22A8GPR18ADORA3ADORA2B

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 2959/4885ALDH1A1 221/4885

“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.