SCHEMBL5544591

SCHEMBL5544591

O=COCCc1nnnn1-c1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
HSD11B1 P28845 1/20 0.37
KCNN4 O15554 8/20 0.35
ALDH1A1 P00352 2/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
P2RX7 Q99572 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL5544587 0.84 NPC1 (0.36) NPC1RAB9AHSD11B1KCNN4ALDH1A1
SCHEMBL5546087 0.83 HSD11B1 (0.50) NPC1RAB9AHSD11B1ALDH1A1MAPT
SCHEMBL5536571 0.81 HSD11B1 (0.44) RAB9AHSD11B1ALDH1A1MAPTHTT
SCHEMBL5548019 0.74 HSD11B1 (0.53) NPC1RAB9AHSD11B1ALDH1A1MAPT
SCHEMBL5539749 0.74 KCNN4 (0.41) NPC1RAB9AHSD11B1KCNN4ALDH1A1
SCHEMBL5537177 0.72 ALDH1A1 (0.49) NPC1RAB9AHSD11B1ALDH1A1HTT
SCHEMBL5543439 0.72 ALDH1A1 (0.48) HSD11B1ALDH1A1MAPTHTTL3MBTL1
SCHEMBL5543973 0.72 POLB (0.45) HSD11B1ALDH1A1MAPTHTTL3MBTL1
SCHEMBL5543817 0.71 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL28451472 0.68 NPC1 (0.46) NPC1RAB9AKCNN4ALDH1A1P2RX7

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 NPC1 2404/4885RAB9A 2824/4885HSD11B1 256/4885

“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.