SCHEMBL5535165

SCHEMBL5535165

O=COCc1cccc(C(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

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
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
RXRA P19793 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 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
SCHEMBL11509118 0.86 MRGPRX4 (0.41) MRGPRX4MAOAMAOBRXRAALDH1A1
SCHEMBL11394076 0.81 MAOB (0.39) MAOAMAOBIDO1AGXT
SCHEMBL5534596 0.78 MRGPRX4 (0.36) MRGPRX4DAOPGK1PGK2IDO1
SCHEMBL95134 0.77 IDO1 (0.58) MAOAMAOBIDO1AGXT
SCHEMBL5535162 0.76 MRGPRX4 (0.45) MRGPRX4DAOPGK1PGK2SLC26A3
SCHEMBL7359415 0.74 ENPP2 (0.50) ALDH1A1
SCHEMBL9216943 0.74 DAO (0.49) MRGPRX4DAOPGK1PGK2SLC26A3
SCHEMBL11564639 0.73 FFAR4 (0.46) MAOAMAOBIDO1AGXTRXRA
SCHEMBL9256367 0.73 SOD1 (0.40) MAOAMAOBIDO1AGXTALDH1A1
SCHEMBL5545779 0.73 MAOB (0.47) MRGPRX4MAOAMAOBALDH1A1

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.