SCHEMBL5539609

SCHEMBL5539609

O=[N+]([O-])c1cn(CC(O)CCl)c(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.47
ALDH1A1 P00352 2/20 0.42
PKM P14618 2/20 0.41
KMT2A Q03164 3/20 0.40
SOS1 Q07889 1/20 0.38
MITF O75030 1/20 0.37
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL28531344 1.00 CHRM1 (0.47) CHRM1ALDH1A1PKMKMT2ASOS1
SCHEMBL28523272 0.88 ALDH1A1 (0.42) CHRM1ALDH1A1PKMKMT2ASOS1
SCHEMBL28523274 0.88 ALDH1A1 (0.42) CHRM1ALDH1A1PKMKMT2ASOS1
SCHEMBL11410924 0.84 CHRM1 (0.46) CHRM1ALDH1A1PKMKMT2ASOS1
SCHEMBL11418348 0.84 ALDH1A1 (0.59) CHRM1ALDH1A1PKMKMT2ASOS1
SCHEMBL27610264 0.84 ALDH1A1 (0.46) CHRM1ALDH1A1PKMKMT2ASOS1
SCHEMBL28756702 0.84 ALDH1A1 (0.43) CHRM1ALDH1A1PKMKMT2ASOS1
SCHEMBL27629456 0.84 ALDH1A1 (0.46) CHRM1ALDH1A1PKMKMT2ASOS1
SCHEMBL5316860 0.83 ALDH1A1 (0.41) CHRM1ALDH1A1PKMKMT2ASOS1
SCHEMBL12517676 0.82 ALDH1A1 (0.38) CHRM1ALDH1A1PKMKMT2ASOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483549-B Preparation method of nitroimidazole pyran antituberculosis drug 沈阳药科大学 2021-03-05 CN 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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 463/4885ALDH1A1 355/4885PKM 4291/4885

“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.