SCHEMBL5546366

SCHEMBL5546366

CC(C)c1ccc2co[c]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
UGT2B7 P16662 1/20 0.37
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ALOX12 P18054 2/20 0.33
HTT P42858 2/20 0.33
HIF1A Q16665 2/20 0.33
EIF4A3 P38919 1/20 0.33
GAA P10253 1/20 0.33
KIF11 P52732 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SCN4A P35499 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
TYR P14679 2/20 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
SCHEMBL5535205 0.85 LMNA (0.39) LMNAUGT2B7TRPA1PTGS1CACNA1C
SCHEMBL4466912 0.74 CYP1A2 (0.44) LMNAALDH1A1GAASMN1; SMN2NPC1
SCHEMBL5543787 0.69 CYP2A6 (0.43) ALDH1A1HTTKDM4EMAPTMEN1
SCHEMBL16289083 0.69 CYP1A2 (0.43) LMNAALDH1A1HIF1AGAAKDM4E
SCHEMBL4459896 0.69 CYP2A6 (0.43) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL28166206 0.69 UGT2B7 (0.41) LMNAUGT2B7TRPA1PTGS1CACNA1C
SCHEMBL181347 0.69 UGT2B7 (0.58) LMNAUGT2B7TRPA1PTGS1CACNA1C
SCHEMBL4832080 0.69 UGT2B7 (0.52) LMNAUGT2B7TRPA1PTGS1CACNA1C
SCHEMBL30031337 0.69 UGT2B7 (0.58) LMNAUGT2B7TRPA1PTGS1CACNA1C
SCHEMBL9202166 0.68 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 LMNA 4152/4885UGT2B7 2331/4885TRPA1 3038/4885

“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.