SCHEMBL3511239

SCHEMBL3511239

Cc1csc(CNC(=O)c2cc(C(N)=O)cc(N3CCCC3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 1/20 0.46
RAB9A P51151 4/20 0.44
NAMPT P43490 1/20 0.41
NPC1 O15118 3/20 0.40
HSP90AA1 P07900 1/20 0.40
PDE10A Q9Y233 1/20 0.38
ENPP2 Q13822 1/20 0.37
WDR5 P61964 1/20 0.36
USP2 O75604 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL3509460 0.99 SLC5A7 (0.45) SLC5A7RAB9ANAMPTNPC1HSP90AA1
SCHEMBL3686716 0.88 RAB9A (0.48) SLC5A7RAB9ANAMPTNPC1HSP90AA1
SCHEMBL3687556 0.85 RAB9A (0.50) SLC5A7RAB9ANPC1PDE10AALDH1A1
SCHEMBL3647405 0.81 ENPP2 (0.52) SLC5A7RAB9ANAMPTNPC1HSP90AA1
SCHEMBL3686284 0.80 KDM4E (0.40) RAB9ANPC1USP2ALDH1A1KDM4E
SCHEMBL3511082 0.78 RAB9A (0.43) SLC5A7RAB9ANAMPTNPC1HSP90AA1
SCHEMBL3510035 0.76 RAB9A (0.40) SLC5A7RAB9ANAMPTNPC1HSP90AA1
SCHEMBL3511235 0.74 IKBKB (0.36) SLC5A7RAB9ANPC1USP2SMN1; SMN2
SCHEMBL3509630 0.74 ADORA2A (0.46) SLC5A7RAB9ANAMPTNPC1HSP90AA1
SCHEMBL3508887 0.74 MAPK1 (0.41) SLC5A7RAB9ANAMPTNPC1HSP90AA1

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-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 SLC5A7 2378/4885RAB9A 3199/4885NAMPT 961/4885

“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.