SCHEMBL5544587

SCHEMBL5544587

O=[C]OCCc1nnnn1-c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
HSD11B1 P28845 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
P2RX7 Q99572 1/20 0.32
GRM2 Q14416 1/20 0.32
GPR35 Q9HC97 1/20 0.31
PKM P14618 1/20 0.31
KCNN4 O15554 3/20 0.31

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
SCHEMBL5544591 0.84 NPC1 (0.37) NPC1RAB9AHSD11B1L3MBTL1ALDH1A1
SCHEMBL5546084 0.82 HSD11B1 (0.50) HSD11B1L3MBTL1ALDH1A1MAPTHTT
SCHEMBL5536565 0.80 HSD11B1 (0.44) RAB9AHSD11B1ALDH1A1MAPTHTT
SCHEMBL5539746 0.74 HSD11B1 (0.40) NPC1RAB9AHSD11B1ALDH1A1HTT
SCHEMBL5548018 0.73 HSD11B1 (0.53) NPC1RAB9AHSD11B1L3MBTL1ALDH1A1
SCHEMBL5537170 0.71 ALDH1A1 (0.49) NPC1RAB9AHSD11B1L3MBTL1ALDH1A1
SCHEMBL5543435 0.71 ALDH1A1 (0.48) HSD11B1L3MBTL1ALDH1A1MAPTHTT
SCHEMBL5543968 0.71 POLB (0.48) HSD11B1L3MBTL1ALDH1A1MAPTHTT
SCHEMBL5543816 0.70 TLR8 (0.33) L3MBTL1ALDH1A1
SCHEMBL5537088 0.70 ALDH1A1 (0.42) RAB9AHSD11B1ALDH1A1MAPTHTT

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.