SCHEMBL6288790

SCHEMBL6288790

Cn1c(=O)c(Cc2ccc(F)c(F)c2)cc2nc(C(=O)NCc3ccccc3)sc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
CACNA1G O43497 2/20 0.45
CACNA1H O95180 2/20 0.45
CACNA1I Q9P0X4 2/20 0.45
CHRM4 P08173 1/20 0.41
PTGER4 P35408 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCD O00767 1/20 0.41
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
HMGCR P04035 1/20 0.40
ROCK2 O75116 1/20 0.40
ADORA2A P29274 1/20 0.40
EGFR P00533 1/20 0.39
SRC P12931 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
SCHEMBL6288889 0.85 MAOB (0.39) MAOBCACNA1GCACNA1HCACNA1ICHRM4
SCHEMBL6292190 0.83 MAPT (0.45) CACNA1GCACNA1HCACNA1ISMN1; SMN2SCD
SCHEMBL6292842 0.81 PTGER4 (0.42) CACNA1GCACNA1HCACNA1IPTGER4SMN1; SMN2
SCHEMBL6289370 0.80 MMP13 (0.46) PTGER4KLKB1KLK1HMGCR
SCHEMBL6292115 0.79 MMP13 (0.36) SCD
SCHEMBL6702256 0.78 TRPA1 (0.49) MAOBL3MBTL1CACNA1GCACNA1HCACNA1I
SCHEMBL6477100 0.76 CHRM4 (0.43) MAOBCACNA1GCACNA1HCACNA1ICHRM4
SCHEMBL6289345 0.74 MAOB (0.55) MAOBL3MBTL1CACNA1GCACNA1HCACNA1I
SCHEMBL6476120 0.73 TRPA1 (0.54) PTGER4
SCHEMBL6288742 0.72 MAPT (0.49) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US claimed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US claimed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MAOB 382/4885L3MBTL1 2418/4885CACNA1G 3523/4885

“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.