SCHEMBL13382000

SCHEMBL13382000

CC(C)c1ccc(COc2nc(SC(=O)N(C)C)ns2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HRH3 Q9Y5N1 1/20 0.35
IDO1 P14902 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
GRIN2B Q13224 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PDK2 Q15119 1/20 0.33
COPS5 Q92905 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 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
SCHEMBL13381964 0.88 KMT2A (0.45) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL13381979 0.87 ALDH1A1 (0.38) NPC1RAB9AHRH3KMT2AMEN1
SCHEMBL13381974 0.87 RXRA (0.37) RXRARXRBNPC1RAB9AHRH3
SCHEMBL13381972 0.86 MAOB (0.39) RXRARXRBNPC1RAB9AKMT2A
SCHEMBL13381962 0.86 TDP1 (0.39) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL13381992 0.85 MEN1 (0.37) RAB9AKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL13381987 0.85 RAB9A (0.43) RXRARXRBNPC1RAB9AKMT2A
SCHEMBL13381991 0.84 RAB9A (0.43) RXRARXRBNPC1RAB9AKMT2A
SCHEMBL13382001 0.83 PTPRC (0.42) NPC1KMT2AMEN1ALDH1A1MAPT
SCHEMBL13381879 0.83 ALDH1A1 (0.42) NPC1RAB9AKMT2AMEN1ALDH1A1

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 RXRA 351/4885RXRB 259/4885NPC1 4179/4885

“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.