SCHEMBL9933949

SCHEMBL9933949

CC(C)(C)OC(=O)NCc1cncs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAMPT P43490 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
CTSK P43235 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM4A O75164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
DYRK1A Q13627 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL17085869 0.87 HTT (0.47) NPC1RAB9ASMN1; SMN2TDP1LMNA
SCHEMBL2736245 0.83 RAB9A (0.53) NPC1RAB9ASMN1; SMN2TDP1LMNA
SCHEMBL29014846 0.82 CYP1A2 (0.40) NPC1RAB9ASMN1; SMN2NAMPTTDP1
SCHEMBL893540 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TDP1LMNA
SCHEMBL18666971 0.79 STK17B (0.44) RAB9ANAMPTLMNAKDM4EL3MBTL1
SCHEMBL30716057 0.78 APLNR (0.41) NAMPTTDP1CTSKLMNAHTT
SCHEMBL30101793 0.78 GAA (0.47) NPC1RAB9ASMN1; SMN2TDP1LMNA
SCHEMBL19475116 0.78 RAB9A (0.40) NPC1RAB9ASMN1; SMN2TDP1LMNA
SCHEMBL18667622 0.77 L3MBTL1 (0.42) NAMPTTDP1LMNAKDM4EKDM4A
SCHEMBL31758078 0.76 ACE (0.50) CTSK

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-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 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-20120157494-A1 ISOINDOLYL COMPOUNDS P2RX7, P2RX3, P2RX1 NPC1 307/4885RAB9A 2186/4885SMN1; SMN2 2601/4885

“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.