SCHEMBL5542243

SCHEMBL5542243

O=COCCCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.49
TSHR P16473 1/20 0.49
EPHX1 P07099 1/20 0.47
KCNJ1 P48048 2/20 0.47
CHRM2 P08172 1/20 0.46
IDO1 P14902 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL5535033 1.00 KCNH2 (0.49) KCNH2TSHREPHX1KCNJ1CHRM2
SCHEMBL5535046 0.98 TSHR (0.50) KCNH2TSHREPHX1KCNJ1CHRM2
SCHEMBL5546769 0.94 TSHR (0.51) KCNH2TSHREPHX1KCNJ1CHRM2
SCHEMBL88305 0.87 TSHR (0.55) KCNH2TSHRKCNJ1CHRM2IDO1
SCHEMBL27783167 0.84 TSHR (0.49) KCNH2TSHREPHX1KCNJ1IDO1
SCHEMBL11308396 0.83 TSHR (0.55) KCNH2TSHREPHX1KCNJ1CHRM2
SCHEMBL9165352 0.83 TSHR (0.55) KCNH2TSHREPHX1KCNJ1CHRM2
SCHEMBL8727026 0.83 TSHR (0.55) KCNH2TSHREPHX1KCNJ1CHRM2
SCHEMBL18913824 0.81 TSHR (0.69) KCNH2TSHRKCNJ1CHRM2IDO1
SCHEMBL22556253 0.79 KCNH2 (0.49) KCNH2TSHREPHX1KCNJ1CHRM2

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 3503/4885TSHR 319/4885EPHX1 4071/4885

“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.