SCHEMBL1229247

SCHEMBL1229247

O=[N+]([O-])c1cn2c(n1)OC(CO)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.42
ALDH1A1 P00352 2/20 0.36
KCNH2 Q12809 5/20 0.35
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
MITF O75030 1/20 0.32
GRM2 Q14416 1/20 0.32
PKM P14618 1/20 0.32
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31

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
SCHEMBL5541985 0.89 CHRM1 (0.40) CHRM1ALDH1A1KCNH2MITFGRM2
SCHEMBL1228993 0.87 CHRM1 (0.38) CHRM1ALDH1A1KCNH2MITF
SCHEMBL18031624 0.87 CHRM1 (0.41) CHRM1ALDH1A1KCNH2MAPTRAB9A
SCHEMBL5537422 0.83 CHRM1 (0.37) CHRM1ALDH1A1KCNH2MITFPKM
SCHEMBL14775274 0.82 CHRM1 (0.39) CHRM1ALDH1A1KCNH2MITFGRM2
SCHEMBL5539431 0.80 CHRM1 (0.44) CHRM1ALDH1A1KCNH2MITFGRM2
SCHEMBL22527399 0.80 GRM2 (0.40) CHRM1MAPTGRM2
SCHEMBL5539172 0.79 CHRM1 (0.39) CHRM1ALDH1A1KCNH2MITFGRM2
SCHEMBL5540324 0.79 CHRM1 (0.35) CHRM1ALDH1A1KCNH2
SCHEMBL5538952 0.79 CHRM1 (0.35) CHRM1ALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459570-B1 NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-12-24 EP disclosed
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-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US disclosed
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 US 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 (2 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 463/4885ALDH1A1 355/4885KCNH2 3503/4885
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES NOX5, NQO2, SIRT5 CHRM1 1308/4885ALDH1A1 2444/4885KCNH2 2847/4885

“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.