SCHEMBL5546741

SCHEMBL5546741

O=COCc1cccc(OC(F)(F)F)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
SLC6A3 Q01959 5/20 0.33
DRD2 P14416 4/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SLC6A2 P23975 5/20 0.32
SLC6A4 P31645 4/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
GAA P10253 1/20 0.31
VNN1 O95497 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL2090205 0.84 GRIN2B (0.42) RXRARXRBRXRGGRIN1GRIN2B
SCHEMBL5537022 0.81 IDO1 (0.43) KDM4E
SCHEMBL1047639 0.79 KDM4E (0.38) KDM4ERXRARXRBRXRGGRIN1
SCHEMBL5546736 0.79 KDM4E (0.34) KDM4ERXRARXRBRXRGGRIN1
SCHEMBL1047640 0.76 KDM4E (0.38) KDM4ERXRARXRBRXRGGRIN1
SCHEMBL5545714 0.73 GRIN1 (0.33) RXRARXRBRXRGGRIN1GRIN2B
SCHEMBL2097495 0.72 SLC6A3 (0.42) RXRARXRBRXRGGRIN1GRIN2B
SCHEMBL22696959 0.71 TACR1 (0.32)
SCHEMBL5537438 0.71 MAOB (0.37) KDM4ESLC6A3SLC6A2SLC6A4HCRTR1
SCHEMBL2091829 0.70 IDO1 (0.59) KDM4EFFAR1

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 KDM4E 4854/4885RXRA 143/4885RXRB 117/4885

“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.