SCHEMBL5535645

SCHEMBL5535645

O=[C]OCOCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
TDP1 Q9NUW8 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
IDO1 P14902 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
FFAR1 O14842 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL5535137 0.89 IDO1 (0.48) TDP1IDO1NPC1RAB9AFFAR1
SCHEMBL5539868 0.87 TDP1 (0.45) TDP1IDO1FFAR1LMNAL3MBTL1
SCHEMBL5536546 0.86 TDP1 (0.48) TDP1IDO1FFAR1L3MBTL1
SCHEMBL5546133 0.86 TDP1 (0.48) TDP1IDO1FFAR1L3MBTL1
SCHEMBL26582 0.84 CA1 (0.48) CA1CA2CA9TDP1HCAR2
SCHEMBL5541072 0.81 MEN1 (0.41) CA1CA2CA9TDP1IDO1
SCHEMBL5540668 0.81 MEN1 (0.41) CA1CA2CA9TDP1HCAR2
SCHEMBL5540698 0.80 TDP1 (0.42) CA1CA2CA9TDP1IDO1
SCHEMBL5536033 0.80 TDP1 (0.42) CA1CA2CA9TDP1IDO1
SCHEMBL97578 0.80 TSHR (0.56) CA1CA2CA9TDP1IDO1

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 CA1 3493/4885CA2 1853/4885CA9 3134/4885

“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.