SCHEMBL5546210

SCHEMBL5546210

FC(F)(F)c1cccc(-c2c[c]oc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
PGR P06401 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
MAOB P27338 1/20 0.43
HTR2C P28335 2/20 0.42
KDM1A O60341 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KIF11 P52732 1/20 0.41
IDO1 P14902 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
BRD4 O60885 1/20 0.40
SCN2A Q99250 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL2752197 0.82 RXRA (0.38) IDO1
SCHEMBL1263144 0.79 TSHR (0.58) NOTUMPGRASIC3MAOBHTR2C
SCHEMBL29678302 0.79 TSHR (0.58) NOTUMPGRASIC3MAOBHTR2C
SCHEMBL5535912 0.78 KIF11 (0.48) NOTUMMAOBKIF11
SCHEMBL6761184 0.77
Ammonia Solution, Strong SCHEMBL20472961 0.77 MAOB (0.56) NOTUMPGRASIC3MAOBHTR2C
SCHEMBL2749869 0.74 RXRA (0.41) NOTUMKIF11
SCHEMBL2751432 0.73 EDNRB (0.40) TSHR
SCHEMBL2753512 0.73 CES2 (0.38)
SCHEMBL307920 0.73 KIF11 (0.62) NOTUMPGRASIC3MAOBKDM1A

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 NOTUM 3827/4885PGR 3306/4885ASIC3 211/4885

“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.