SCHEMBL166268

SCHEMBL166268

Cc1csc(CNC(=O)c2c(C)ccc(C(N)=O)c2C)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
HSP90AA1 P07900 1/20 0.54
PDE10A Q9Y233 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39
NAMPT P43490 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SYK P43405 1/20 0.35
MAPK1 P28482 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MAPT P10636 1/20 0.35
SCD O00767 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CD38 P28907 1/20 0.34
KCNH2 Q12809 1/20 0.34
ENPP2 Q13822 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
SCHEMBL166266 0.91 RAB9A (0.54) RAB9ANPC1HSP90AA1PDE10ASLC5A7
SCHEMBL165508 0.89 RAB9A (0.55) RAB9ANPC1HSP90AA1PDE10ASLC5A7
SCHEMBL3507208 0.83 RAB9A (0.50) RAB9ANPC1HSP90AA1PDE10ASLC5A7
SCHEMBL3641650 0.75 RAB9A (0.45) RAB9ANPC1HSP90AA1PDE10ASLC5A7
SCHEMBL3510418 0.75 RAB9A (0.45) RAB9ANPC1HSP90AA1PDE10ASLC5A7
SCHEMBL164426 0.75 L3MBTL1 (0.55) RAB9ANPC1SMN1; SMN2ADORA2AADORA1
SCHEMBL2711947 0.75 HPGD (0.56) RAB9ANPC1HSP90AA1PDE10ANAMPT
SCHEMBL3686716 0.75 RAB9A (0.48) RAB9ANPC1HSP90AA1PDE10ASLC5A7
SCHEMBL3507429 0.74 PDE10A (0.46) RAB9ANPC1HSP90AA1PDE10ASLC5A7
SCHEMBL3647405 0.73 ENPP2 (0.52) RAB9ANPC1HSP90AA1SLC5A7NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP claimed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO claimed
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
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.