SCHEMBL5535162

SCHEMBL5535162

O=[C]OCc1cccc(C(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.45
DAO P14920 1/20 0.42
PGK1 P00558 2/20 0.38
PGK2 P07205 2/20 0.38
SLC26A3 P40879 5/20 0.37
NOTUM Q6P988 1/20 0.35
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL11509116 0.86 MRGPRX4 (0.41) MRGPRX4IDO1RXRAALDH1A1
SCHEMBL5534593 0.78 MRGPRX4 (0.36) MRGPRX4DAOPGK1PGK2NOTUM
SCHEMBL95133 0.77 IDO1 (0.58) IDO1AGXT
SCHEMBL5535165 0.76 MRGPRX4 (0.45) MRGPRX4DAOPGK1PGK2SLC26A3
SCHEMBL6382767 0.74 ENPP2 (0.50) ALDH1A1
SCHEMBL9216943 0.74 DAO (0.49) MRGPRX4DAOPGK1PGK2SLC26A3
SCHEMBL1822739 0.73 IDO1 (0.58) IDO1
SCHEMBL5543288 0.73 IDO1 (0.58) SLC26A3IDO1
SCHEMBL95565 0.73 CYP3A4 (0.58) IDO1AGXTRXRA
SCHEMBL5545771 0.73 MAOB (0.47) MRGPRX4ALDH1A1

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 MRGPRX4 3620/4885DAO 1115/4885PGK1 2942/4885

“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.