SCHEMBL6704876

SCHEMBL6704876

Cn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2cc(C#CCc3ccc(F)cc3)sc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
TRPC5 Q9UL62 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 3/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
GPR18 Q14330 1/20 0.35
MAPT P10636 1/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL6681942 0.93 MMP13 (0.46) MMP13SLC22A8TRPC5NPSR1TP53
SCHEMBL6697974 0.91 MAPT (0.40) MMP13SLC22A8NPSR1MAPTALDH1A1
SCHEMBL6472380 0.89 MAPT (0.48) MMP13SLC22A8TP53MAPTALDH1A1
SCHEMBL6917313 0.89 MMP13 (0.50) MMP13SLC22A8NPSR1TP53MAPT
SCHEMBL7038900 0.85 MMP13 (0.56) MMP13SLC22A8NPSR1TP53MAPT
SCHEMBL6472619 0.85 PARG (0.41) MMP13SLC22A8NPSR1TP53PTGS2
SCHEMBL6471574 0.85 MAPT (0.43) MMP13SLC22A8TP53MAPTALDH1A1
SCHEMBL6470668 0.84 MAPT (0.44) MMP13SLC22A8TRPC5TP53MAPT
SCHEMBL6730295 0.83 MAPT (0.44) MMP13SLC22A8TRPC5TP53MAPT
SCHEMBL6916166 0.83 MAPT (0.41) MMP13SLC22A8TP53MAPTALDH1A1

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 2959/4885TRPC5 4052/4885

“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.