SCHEMBL5543467

SCHEMBL5543467

[O]c1cccc2c1CCO2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
SLC9A1 P19634 2/20 0.40
MTNR1B P49286 12/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC9A5 Q14940 1/20 0.38
SLC9A2 Q9UBY0 1/20 0.38
LMNA P02545 2/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
MTNR1A P48039 10/20 0.38
KIF11 P52732 1/20 0.36

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
SCHEMBL6187776 0.75 KDM4E (0.41) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL29386706 0.75 KDM4E (0.41) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL292330 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL2830923 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL30054966 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL31634086 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL945134 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL8081108 0.74 MAP3K14 (0.47) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL964309 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALSLC9A1MTNR1B
SCHEMBL88337 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALSLC9A1MTNR1B

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 5 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
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
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 ITGB2 558/4885ICAM1 3479/4885ITGAL 865/4885

“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.