SCHEMBL13382005

SCHEMBL13382005

CN(C)C(=O)Sc1nsc(OCc2cc(F)ccc2F)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.36
RIPK1 Q13546 1/20 0.36
HTR2C P28335 10/20 0.35
SLC6A4 P31645 10/20 0.35
HTR2A P28223 9/20 0.35
NPC1 O15118 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
CACNA1C Q13936 1/20 0.34
MMP2 P08253 2/20 0.33
MMP12 P39900 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOB P27338 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL13382021 0.89 ALDH1A1 (0.42) MEN1KMT2A
SCHEMBL13382012 0.88 IDO1 (0.39) L3MBTL1
SCHEMBL13381967 0.87 MAOB (0.41) ALKBH1NPC1MEN1KMT2ACASP3
SCHEMBL13398660 0.84 MAOA (0.34) MEN1KMT2AMAOB
SCHEMBL13381962 0.84 TDP1 (0.39) MEN1KMT2AMAOB
SCHEMBL13382008 0.83 MAOB (0.42) RIPK1MEN1KMT2AMAOB
SCHEMBL13381961 0.83 PTGS1 (0.44) MAOB
SCHEMBL13398860 0.82 MAPK14 (0.32) MAOB
SCHEMBL13382011 0.82 MAOB (0.35) MEN1KMT2AMAOB
SCHEMBL13381990 0.81 KMT2A (0.39) ALKBH1MEN1KMT2AMAOB

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 3 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
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 ALKBH1 3066/4885RIPK1 1767/4885HTR2C 106/4885

“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.