SCHEMBL13382018

SCHEMBL13382018

Cc1ccc(COc2nc(SC(=O)N(C)C)ns2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
HSP90AA1 P07900 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
GRM5 P41594 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RIOK2 Q9BVS4 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
AXL P30530 1/20 0.30
MERTK Q12866 1/20 0.30
HPGD P15428 2/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 3/20 0.30
RXFP1 Q9HBX9 1/20 0.30
FFAR1 O14842 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL13381979 0.87 ALDH1A1 (0.38) NPC1RAB9AALDH1A1HRH3MEN1
SCHEMBL13382008 0.85 MAOB (0.42) PPARAMEN1KMT2A
SCHEMBL13382001 0.85 PTPRC (0.42) NPC1ALDH1A1MEN1KMT2AGAA
SCHEMBL13381974 0.85 RXRA (0.37) NPC1RAB9APPARAALDH1A1HRH3
SCHEMBL13399490 0.84 TSHR (0.36) MEN1KMT2ASMN1; SMN2
SCHEMBL13381972 0.84 MAOB (0.39) NPC1RAB9APPARAALDH1A1MEN1
SCHEMBL13381964 0.84 KMT2A (0.45) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL13381962 0.84 TDP1 (0.39) PPARAALDH1A1MEN1KMT2ALMNA
SCHEMBL13382094 0.83 ALOX5 (0.39) PPARAGRM5ALDH1A1LMNA
SCHEMBL13381995 0.83 POLB (0.41) NPC1RAB9AALDH1A1MEN1KMT2A

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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 NPC1 4179/4885RAB9A 3350/4885HSP90AA1 1764/4885

“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.