SCHEMBL5546644

SCHEMBL5546644

CC(O)C1Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
ALDH1A1 P00352 2/20 0.34
KCNH2 Q12809 4/20 0.34
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
EPHX1 P07099 1/20 0.31
LMNA P02545 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
SCHEMBL13433891 0.89 CHRM1 (0.39) CHRM1ALDH1A1KCNH2MAPTRAB9A
SCHEMBL5544495 0.79 CHRM1 (0.41) CHRM1ALDH1A1KCNH2PKMMAPT
SCHEMBL14642152 0.79 CHRM1 (0.41) CHRM1ALDH1A1KCNH2PKMMAPT
SCHEMBL1229247 0.76 CHRM1 (0.42) CHRM1ALDH1A1KCNH2PKMMAPT
SCHEMBL5544490 0.76 CHRM1 (0.41) CHRM1ALDH1A1KCNH2MAPTRAB9A
SCHEMBL18031624 0.75 CHRM1 (0.41) CHRM1ALDH1A1KCNH2PKMMAPT
SCHEMBL5541985 0.74 CHRM1 (0.40) CHRM1ALDH1A1KCNH2PKMPTGS1
SCHEMBL12518017 0.74 CHRM1 (0.38) CHRM1ALDH1A1KCNH2MAPTRAB9A
SCHEMBL2224191 0.74 CHRM1 (0.39) CHRM1ALDH1A1KCNH2PKMPTGS1
SCHEMBL2228306 0.74 CHRM1 (0.39) CHRM1ALDH1A1KCNH2PKMPTGS1

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 463/4885ALDH1A1 355/4885KCNH2 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.