SCHEMBL3510644

SCHEMBL3510644

Cc1csc([C@H]2CSCN2C(=O)NC(=O)c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
HTT P42858 3/20 0.43
NAA50 Q9GZZ1 1/20 0.41
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.39
GCK P35557 2/20 0.38
SCD O00767 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GRM5 P41594 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RCE1 Q9Y256 1/20 0.36

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
SCHEMBL3513867 0.83 TRPV1 (0.52) NPC1RAB9ANAA50GAASMN1; SMN2
SCHEMBL3514665 0.82 TRPV1 (0.48) NPC1RAB9AGAASMN1; SMN2
SCHEMBL3510544 0.82 NPC1 (0.47) NPC1RAB9AHTTNAA50MAPT
SCHEMBL3510640 0.75 ALDH1A1 (0.39) NPC1RAB9AHTTNAA50GAA
SCHEMBL3510898 0.73 MAPT (0.49) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL27798675 0.72 BACE1 (0.42) HTTNAA50GCKLMNATP53
SCHEMBL1270190 0.66 NPC1 (1.00) NPC1RAB9AHTTMAPTGCK
SCHEMBL18550671 0.65 NPC1 (1.00) NPC1RAB9AHTTMAPTGCK
SCHEMBL3511378 0.63 HCRTR1 (0.43) GAAMEN1KMT2AGRM5
SCHEMBL166687 0.63 CPT2 (0.50) NAA50SMN1; SMN2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 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-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 NPC1 219/4885RAB9A 2364/4885HTT 181/4885

“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.