SCHEMBL5545706

SCHEMBL5545706

O=[C]CCCCN1CCN(C(=O)OCc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ATM Q13315 1/20 0.40
HRH1 P35367 2/20 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
SCHEMBL5538300 0.99 F13A1 (0.47) F13A1TGM2TGM1ALDH1A1KDM4E
SCHEMBL5539620 0.97 F13A1 (0.48) F13A1TGM2TGM1ALDH1A1KDM4E
SCHEMBL5536669 0.92 F13A1 (0.49) F13A1TGM2TGM1ALDH1A1KDM4E
SCHEMBL5546135 0.87 F13A1 (0.51) F13A1TGM2TGM1ALDH1A1KDM4E
SCHEMBL27610430 0.87 F13A1 (0.48) F13A1TGM2TGM1ALDH1A1KDM4E
SCHEMBL5543789 0.86 F13A1 (0.50) F13A1TGM2TGM1ALDH1A1KDM4E
SCHEMBL5540105 0.86 F13A1 (0.52) F13A1TGM2TGM1ALDH1A1KDM4E
SCHEMBL5547612 0.85 FNTA (0.51) ALDH1A1KDM4EPOLBLMNAHRH1
SCHEMBL5545711 0.85 F13A1 (0.49) F13A1TGM2TGM1ALDH1A1KDM4E
SCHEMBL5539895 0.85 FNTA (0.51) ALDH1A1KDM4EPOLBLMNAHRH1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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 F13A1 3793/4885TGM2 3103/4885TGM1 3529/4885

“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.