SCHEMBL2097495

SCHEMBL2097495

O=COCCc1ccccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.42
DRD2 P14416 4/20 0.42
GRIN2B Q13224 2/20 0.40
GRIN1 Q05586 1/20 0.40
SLC6A2 P23975 5/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SLC6A4 P31645 4/20 0.37
CYP2D6 P10635 3/20 0.37
KCNH2 Q12809 3/20 0.37
VNN1 O95497 1/20 0.37
EPHX2 P34913 1/20 0.36
SCN9A Q15858 1/20 0.35
GAA P10253 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL5541626 0.91 SLC6A3 (0.40) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL5536278 0.88 CHRM2 (0.33) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL2090205 0.83 GRIN2B (0.42) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL5534989 0.80 SLC6A3 (0.44) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL2091568 0.80 SLC6A3 (0.49) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL2091566 0.78 SLC6A3 (0.45) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL1046197 0.78 SLC6A3 (0.47) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL2097493 0.77 SLC6A3 (0.42) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL1047235 0.77 HDAC3 (0.44) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL2097562 0.77 IDO1 (0.47) HDAC1

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 8 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-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US 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 (2 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 SLC6A3 1944/4885DRD2 542/4885GRIN2B 504/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 SLC6A3 3737/4885DRD2 409/4885GRIN2B 269/4885

“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.