SCHEMBL5544005

SCHEMBL5544005

[CH2]c1oc(C)nc1-c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPY5R Q15761 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
NOTUM Q6P988 1/20 0.41
ADORA2B P29275 1/20 0.41
MAPT P10636 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL5538637 0.83 PTGS1 (0.45) PTGS1PTGS2NPC1TP53RAB9A
SCHEMBL5544010 0.83 PTGS1 (0.53) PTGS1PTGS2NPC1TP53RAB9A
SCHEMBL5541453 0.81 ADORA2A (0.43) PTGS1PTGS2ADORA2AADORA1NOTUM
SCHEMBL5536991 0.80 ALDH1A1 (0.44) PTGS1PTGS2ADORA2AADORA1ALDH1A1
SCHEMBL5538991 0.79 MAPK13 (0.54) PTGS1PTGS2TP53RAB9ASMN1; SMN2
SCHEMBL5546753 0.77 PTGS1 (0.43) PTGS1PTGS2NPC1TP53RAB9A
SCHEMBL10833110 0.77 PTGS1 (0.43) PTGS1PTGS2NPC1TP53RAB9A
SCHEMBL5540607 0.74 NPC1 (0.50) PTGS1PTGS2NPC1TP53RAB9A
SCHEMBL5538640 0.73 PTGS1 (0.53) PTGS1PTGS2NPC1TP53RAB9A
SCHEMBL5546758 0.73 ALDH1A1 (0.48) PTGS1PTGS2NPC1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PTGS1 3838/4885PTGS2 3418/4885NPC1 2404/4885

“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.