SCHEMBL5546698

SCHEMBL5546698

O=C(NCc1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)Cn1cc([N+](=O)[O-])nc1O2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.54
CHRM1 P11229 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ENPP2 Q13822 1/20 0.41
ATXN2 Q99700 1/20 0.41
GAA P10253 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TRPM8 Q7Z2W7 5/20 0.38
PDE2A O00408 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.36
EPHX2 P34913 1/20 0.36
AKT2 P31751 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
SCHEMBL5542166 0.89 KCNH2 (0.40) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL5544251 0.86 KDM4E (0.41) HRH3
SCHEMBL5541313 0.81 KCNH2 (0.69) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL5541306 0.81 KCNH2 (0.69) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL5541283 0.80 KCNH2 (0.53) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL5545671 0.80 KCNH2 (0.51) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL5536430 0.76 KCNH2 (0.42) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL5542691 0.76 ENPP2 (0.47) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL5537221 0.74 TRPM8 (0.48) GAATRPM8CYP3A4CYP2C9CYP2C19
SCHEMBL14563904 0.74 KCNH2 (0.47) KCNH2PTGS1SLC6A2SLC6A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3503/4885CHRM1 463/4885PTGS1 3838/4885

“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.