SCHEMBL5542567

SCHEMBL5542567

C[C@]1(CN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.63
SLC6A2 P23975 1/20 0.63
SLC6A4 P31645 1/20 0.63
KCNH2 Q12809 7/20 0.56
SCN5A Q14524 2/20 0.47
CACNA1C Q13936 1/20 0.47
CHRM1 P11229 1/20 0.39
MMP13 P45452 3/20 0.38
MMP12 P39900 1/20 0.38
ADRB2 P07550 1/20 0.37
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
LIPE Q05469 1/20 0.36
EPHX2 P34913 1/20 0.33
TEAD1 P28347 1/20 0.32
PRKAA2 P54646 1/20 0.32
MMP2 P08253 2/20 0.32
SCN9A Q15858 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
SCHEMBL5535209 1.00 PTGS1 (0.63) PTGS1SLC6A2SLC6A4KCNH2SCN5A
SCHEMBL5535213 1.00 PTGS1 (0.63) PTGS1SLC6A2SLC6A4KCNH2SCN5A
SCHEMBL5541906 0.92 PTGS1 (0.75) PTGS1SLC6A2SLC6A4KCNH2SCN5A
SCHEMBL5545894 0.92 PTGS1 (0.75) PTGS1SLC6A2SLC6A4KCNH2SCN5A
SCHEMBL5542315 0.92 PTGS1 (0.75) PTGS1SLC6A2SLC6A4KCNH2SCN5A
SCHEMBL5543720 0.88 KCNH2 (0.50) PTGS1SLC6A2SLC6A4KCNH2SCN5A
SCHEMBL5543725 0.88 KCNH2 (0.50) PTGS1SLC6A2SLC6A4KCNH2SCN5A
SCHEMBL5542323 0.88 PTGS1 (0.57) PTGS1SLC6A2SLC6A4KCNH2SCN5A
SCHEMBL5542328 0.88 PTGS1 (0.57) PTGS1SLC6A2SLC6A4KCNH2SCN5A
SCHEMBL5545616 0.87 PTGS1 (0.69) PTGS1SLC6A2SLC6A4KCNH2SCN5A

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 9 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 claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
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 PTGS1 3838/4885SLC6A2 3396/4885SLC6A4 4191/4885

“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.