SCHEMBL4998583

SCHEMBL4998583

O=C(NCc1ccc(F)c(F)c1)c1cc(NCc2ccc(F)c(F)c2)n2nccc2n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.46
KCNN3 Q9UGI6 6/20 0.46
CACNA1G O43497 5/20 0.45
CACNA1H O95180 5/20 0.45
CACNA1I Q9P0X4 5/20 0.45
KCNN1 Q92952 1/20 0.43
KCNN2 Q9H2S1 1/20 0.43
MMP13 P45452 3/20 0.42
MAOB P27338 1/20 0.42
PPARG P37231 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4255982 0.91 CACNA1G (0.46) PDE10ACACNA1GCACNA1HCACNA1IMMP13
SCHEMBL14124308 0.88 CACNA1G (0.46) CACNA1GCACNA1HCACNA1IMMP13MAOB
SCHEMBL8184004 0.87 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IMMP13MAOB
SCHEMBL4224949 0.87 MMP13 (0.48) CACNA1GCACNA1HCACNA1IMMP13MAOB
SCHEMBL4260178 0.87 CACNA1G (0.45) PDE10ACACNA1GCACNA1HCACNA1IMMP13
SCHEMBL4255358 0.87 MMP13 (0.47) CACNA1GCACNA1HCACNA1IMMP13MAOB
SCHEMBL4259824 0.87 KCNN3 (0.47) PDE10AKCNN3KCNN1KCNN2
SCHEMBL10165651 0.86 MMP13 (0.46) CACNA1GCACNA1HCACNA1IMMP13MAOB
SCHEMBL4260309 0.85 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IMMP13MAOB
SCHEMBL4257171 0.84 NAMPT (0.40) PDE10ACACNA1GCACNA1HCACNA1IMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 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-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 PDE10A 4145/4885KCNN3 3795/4885CACNA1G 1476/4885

“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.