SCHEMBL5543910

SCHEMBL5543910

[CH2]c1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
KIF11 P52732 4/20 0.53
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
TBXAS1 P24557 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
CYP2C9 P11712 1/20 0.49
CA9 Q16790 1/20 0.49
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
CRBN Q96SW2 2/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL27807058 0.85 CA9 (0.62) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5535534 0.82 AHR (0.61) KIF11PDE3BPDE3ACYP1A2CYP11B1
SCHEMBL1764573 0.77 AHR (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL29199433 0.77 PKM (0.58) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8115903 0.77 NPC1 (0.55) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1880242 0.77 NPC1 (0.55) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2233596 0.77 PKM (0.58) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL426336 0.77 NPC1 (0.55) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL736368 0.77 CA9 (0.73) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL433753 0.77 PKM (0.58) NPC1MAPK13MAPK12MAPK11MAPK14

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 11 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 claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
CN-106715414-B With 2 adrenaline excitant of β and the active new bicyclic derivatives of M3 muscarinic antagonist 阿尔米雷尔有限公司 2019-08-30 CN disclosed
CN-106715414-A New bicyclic derivatives having beta2 adrenergic agonist and m3 muscarinic antagonist activities 阿尔米雷尔有限公司 2017-05-24 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
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 NPC1 2404/4885MAPK13 1600/4885MAPK12 1611/4885

“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.