SCHEMBL9481

SCHEMBL9481

CCC(=O)NCc1cncs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
MAP4K1 Q92918 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37
MAPK1 P28482 1/20 0.37
USP2 O75604 1/20 0.37
MEN1 O00255 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
SCHEMBL28195168 0.86 CTSK (0.44) CTSKRAB9ANPC1LMNASMN1; SMN2
SCHEMBL19002628 0.85 MEN1 (0.41) RAB9ANPC1SMN1; SMN2TDP1MEN1
SCHEMBL13167386 0.81 NPSR1 (0.47) CTSKRAB9ANPC1LMNASMN1; SMN2
SCHEMBL30107358 0.78 POLB (0.53) CTSKRAB9ANPC1LMNASMN1; SMN2
SCHEMBL16887640 0.74 RAB9A (0.40) RAB9ANPC1LMNASMN1; SMN2TDP1
SCHEMBL24086517 0.74 TDP1 (0.39) CTSKRAB9ANPC1LMNASMN1; SMN2
SCHEMBL9933949 0.73 NPC1 (0.44) CTSKRAB9ANPC1LMNASMN1; SMN2
SCHEMBL14189540 0.71 RAB9A (0.41) CTSKRAB9ANPC1LMNASMN1; SMN2
SCHEMBL1709325 0.71 HPGD (0.72) RAB9ALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL1568170 0.71 L3MBTL1 (0.53) RAB9ALMNASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP CTSK 852/4885RAB9A 1054/4885NPC1 2088/4885

“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.