SCHEMBL5542507

SCHEMBL5542507

C[C@@]1(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
KCNH2 Q12809 5/20 0.53
CACNA1C Q13936 1/20 0.51
SCN5A Q14524 1/20 0.51
HTR1A P08908 1/20 0.39
ENPP2 Q13822 1/20 0.39
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
DRD4 P21917 2/20 0.37
GRM2 Q14416 1/20 0.37
POLB P06746 1/20 0.36
DEGS1 O15121 1/20 0.36
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.34
AKR1C3 P42330 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL5536080 1.00 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5536070 1.00 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5539838 0.89 KCNH2 (0.53) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5543362 0.89 KCNH2 (0.53) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5539828 0.89 KCNH2 (0.53) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5536438 0.89 KCNH2 (0.51) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5536440 0.89 KCNH2 (0.51) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL56976 0.88 KCNH2 (0.70) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL56977 0.88 KCNH2 (0.70) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5540042 0.88 KCNH2 (0.70) PTGS1SLC6A2SLC6A4KCNH2CACNA1C

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 7 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
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.