SCHEMBL5539845

SCHEMBL5539845

O=[C]OCc1csc(-c2ccccc2C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.38
VCP P55072 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.36
C1R P00736 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 5/20 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
SCHEMBL5539775 0.80 ALDH1A1 (0.40) L3MBTL1RAB9AMAPTNPC1TSHR
SCHEMBL5535352 0.80 L3MBTL1 (0.61) L3MBTL1RAB9AMAPTNPC1TSHR
SCHEMBL5547627 0.78 ALDH1A1 (0.39) L3MBTL1RAB9AMAPTNPC1TSHR
SCHEMBL9145575 0.77 ALDH1A1 (0.62) PIM1L3MBTL1RAB9AMAPTNPC1
SCHEMBL5546130 0.77 RAB9A (0.56) L3MBTL1RAB9AMAPTNPC1TSHR
SCHEMBL5548003 0.77 LMNA (0.48) PIM1MAPTSMN1; SMN2TP53LMNA
SCHEMBL5543921 0.76 ALDH1A1 (0.53) PIM1RAB9AMAPTMAPK1ALDH1A1
SCHEMBL5544714 0.75 AVPR2 (0.41) TSHRMAPK1ALDH1A1HSD11B1HSD17B10
SCHEMBL10515859 0.73 MAPT (0.46) PIM1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5536451 0.73 PSMB8 (0.35) TSHRALDH1A1VCPHSD11B1C1R

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 PIM1 3129/4885L3MBTL1 1931/4885RAB9A 2824/4885

“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.