SCHEMBL5537874

SCHEMBL5537874

C[C@]1(CN(CCOc2ccc(OC(F)(F)F)cc2)Cc2ccccc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.67
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
CHRM1 P11229 1/20 0.43
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
MMP13 P45452 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CNR2 P34972 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL5537882 1.00 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5542999 0.86 KCNH2 (0.74) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5539310 0.86 KCNH2 (0.74) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5538532 0.84 KCNH2 (0.73) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5538526 0.84 KCNH2 (0.73) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5544262 0.83 KCNH2 (0.71) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5543023 0.81 KCNH2 (1.00) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5543029 0.81 KCNH2 (1.00) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL1228678 0.78 KCNH2 (0.94) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5542549 0.78 KCNH2 (0.61) KCNH2PTGS1SLC6A2SLC6A4CHRM1

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 KCNH2 3503/4885PTGS1 3838/4885SLC6A2 3396/4885

“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.