SCHEMBL5539431

SCHEMBL5539431

CC(C)(C)OCC1Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.44
GRM2 Q14416 5/20 0.39
KCNH2 Q12809 4/20 0.38
ALDH1A1 P00352 2/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SOS1 Q07889 1/20 0.31
MITF O75030 1/20 0.30

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
SCHEMBL1227391 0.86 CHRM1 (0.40) CHRM1GRM2KCNH2ALDH1A1PTGS1
SCHEMBL5539172 0.82 CHRM1 (0.39) CHRM1GRM2KCNH2ALDH1A1PTGS1
SCHEMBL18031624 0.82 CHRM1 (0.41) CHRM1GRM2KCNH2ALDH1A1PTGS1
SCHEMBL1229247 0.80 CHRM1 (0.42) CHRM1GRM2KCNH2ALDH1A1MITF
SCHEMBL14775274 0.80 CHRM1 (0.39) CHRM1GRM2KCNH2ALDH1A1MITF
SCHEMBL5541985 0.78 CHRM1 (0.40) CHRM1GRM2KCNH2ALDH1A1PTGS1
SCHEMBL12901278 0.77 GRM2 (0.47) CHRM1GRM2KCNH2PTGS1SLC6A2
SCHEMBL1227138 0.77 CHRM1 (0.60) CHRM1GRM2KCNH2PTGS1SLC6A2
SCHEMBL6010762 0.76 ALDH1A1 (0.41) CHRM1KCNH2ALDH1A1
SCHEMBL6010853 0.76 ALDH1A1 (0.41) CHRM1KCNH2ALDH1A1

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 CHRM1 463/4885GRM2 248/4885KCNH2 3503/4885

“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.