SCHEMBL5542883

SCHEMBL5542883

CCC1Cc2c([O])cccc2O1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 9/20 0.36
MTNR1B P49286 9/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.33
DRD1 P21728 2/20 0.33
THRB P10828 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
SCHEMBL18474141 0.82 MAOA (0.50) MAOAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL1285635 0.79 MAOA (0.51) MAOAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL1285065 0.79 MAOA (0.41) MAOAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL5543882 0.77 BRD4 (0.45) MAOAKDM4EALDH1A1HPGDTSHR
SCHEMBL5539835 0.72 MAOA (0.38) MAOAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL434338 0.71 HRH3 (0.49) MAOA
SCHEMBL1285489 0.70 DRD2 (0.48) KDM4EALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL23662356 0.69 MAOB (0.56) KDM4EHSD17B10MAPT
SCHEMBL6828123 0.69 MAOB (0.56) KDM4EHSD17B10MAPT
Bicarbonate SCHEMBL8124381 0.68 GPBAR1 (0.44) MAOAALDH1A1HPGDTSHRMTNR1A

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 MAOA 2885/4885KDM4E 4854/4885ALDH1A1 355/4885

“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.