SCHEMBL5546258

SCHEMBL5546258

CN(CC1(C)CO1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABCB1 P08183 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
BRD4 O60885 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5536055 0.86 KDM4E (0.45) KMT2AL3MBTL1MEN1
SCHEMBL11164727 0.78 MEN1 (0.44) ALDH1A1HPGDKMT2AMEN1HDAC1
SCHEMBL29344514 0.78 ALDH1A1 (0.45) ALDH1A1SIGMAR1MAPTHPGDKMT2A
SCHEMBL7367495 0.77 ALDH1A1 (0.58) ALDH1A1SIGMAR1MAPTHPGDKMT2A
SCHEMBL2621484 0.76 ALDH1A1 (0.58) ALDH1A1SIGMAR1MAPTHPGDKMT2A
SCHEMBL31387717 0.76 ALDH1A1 (0.43) ALDH1A1SIGMAR1MAPTHPGDKMT2A
SCHEMBL19305762 0.76 ALDH1A1 (0.43) ALDH1A1SIGMAR1MAPTHPGDKMT2A
SCHEMBL13687204 0.76 CHRNB2 (0.61) ALDH1A1MAPTHPGDKMT2AMAPK1
SCHEMBL10107202 0.76 ALDH1A1 (0.56) ALDH1A1SIGMAR1MAPTHPGDKMT2A
SCHEMBL40190 0.75 ALDH1A1 (0.51) ALDH1A1SIGMAR1MAPTHPGDKMT2A

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 ALDH1A1 355/4885SIGMAR1 234/4885MAPT 4117/4885

“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.