SCHEMBL5538482

SCHEMBL5538482

CC(O)(COC(=O)N1CCN(C(=O)OCc2ccc(OC(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
KCNH2 Q12809 4/20 0.41
ENPP2 Q13822 8/20 0.40
ATXN2 Q99700 5/20 0.39
DGAT2 Q96PD7 1/20 0.39
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA2 P00918 1/20 0.36
P2RX7 Q99572 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL5538475 1.00 CHRM1 (0.41) CHRM1KCNH2ENPP2ATXN2DGAT2
SCHEMBL6010757 0.93 CHRM1 (0.41) CHRM1KCNH2ENPP2ATXN2DGAT2
SCHEMBL5539665 0.93 LSS (0.42) KCNH2HRH2HRH1ALDH1A1
SCHEMBL5539659 0.93 LSS (0.42) KCNH2HRH2HRH1ALDH1A1
SCHEMBL5536163 0.90 PTGS1 (0.43) KCNH2ENPP2HRH2HRH1ALDH1A1
SCHEMBL5536156 0.90 PTGS1 (0.43) KCNH2ENPP2HRH2HRH1ALDH1A1
SCHEMBL5537384 0.84 TRPV1 (0.40) CHRM1KCNH2HRH2HRH1PTGS1
SCHEMBL5537389 0.84 TRPV1 (0.40) CHRM1KCNH2HRH2HRH1PTGS1
SCHEMBL5546384 0.83 MDH1 (0.42) ALDH1A1
SCHEMBL5546388 0.83 MDH1 (0.42) ALDH1A1

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 4 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
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 CHRM1 463/4885KCNH2 3503/4885ENPP2 2915/4885

“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.