SCHEMBL3510035

SCHEMBL3510035

Cc1csc(CNC(=O)c2cc(C(N)=O)cc(-c3cnco3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HSP90AA1 P07900 1/20 0.40
SLC5A7 Q9GZV3 1/20 0.39
KCNJ1 P48048 1/20 0.38
MAPK1 P28482 1/20 0.37
GSK3B P49841 1/20 0.37
NAMPT P43490 1/20 0.36
ENPP2 Q13822 1/20 0.36
MYC P01106 1/20 0.36
PDE10A Q9Y233 1/20 0.35
ROCK2 O75116 4/20 0.35
WDR5 P61964 2/20 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
SCHEMBL3686716 0.85 RAB9A (0.48) RAB9ANPC1HSP90AA1SLC5A7MAPK1
SCHEMBL3511082 0.82 RAB9A (0.43) RAB9ANPC1HSP90AA1SLC5A7MAPK1
SCHEMBL3513838 0.80 MAPK1 (0.41) RAB9ANPC1HSP90AA1SLC5A7MAPK1
SCHEMBL3508887 0.80 MAPK1 (0.41) RAB9ANPC1HSP90AA1SLC5A7MAPK1
SCHEMBL3509902 0.80 TSHR (0.46) RAB9ANPC1HSP90AA1SLC5A7NAMPT
SCHEMBL3647405 0.78 ENPP2 (0.52) RAB9ANPC1HSP90AA1SLC5A7NAMPT
SCHEMBL3511239 0.76 SLC5A7 (0.46) RAB9ANPC1HSP90AA1SLC5A7NAMPT
SCHEMBL3509630 0.76 ADORA2A (0.46) RAB9ANPC1HSP90AA1SLC5A7MAPK1
SCHEMBL3509460 0.76 SLC5A7 (0.45) RAB9ANPC1HSP90AA1SLC5A7NAMPT
SCHEMBL3687556 0.73 RAB9A (0.50) RAB9ANPC1SLC5A7PDE10A

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
EP-2178837-A2 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-04-28 EP claimed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 WO claimed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP RAB9A 3199/4885NPC1 204/4885HSP90AA1 2756/4885

“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.