SCHEMBL5542573

SCHEMBL5542573

Oc1ccc(N2CCC(Nc3cccc(OC(F)(F)F)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
ROCK2 O75116 3/20 0.44
CHRM4 P08173 4/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PIM1 P11309 3/20 0.42
CASR P41180 2/20 0.42
ME3 Q16798 2/20 0.42
ROCK1 Q13464 1/20 0.42
F10 P00742 1/20 0.41
CXCR3 P49682 1/20 0.41
GALR2 O43603 1/20 0.40
GALR1 P47211 1/20 0.40

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
SCHEMBL5538171 0.91 KDM4E (0.41) NOTUMROCK2CHRM4KDM4EALDH1A1
SCHEMBL5542569 0.88 NOTUM (0.46) NOTUMROCK2CHRM4FFAR4PIM1
SCHEMBL5544285 0.85 CHRM4 (0.49) CHRM4FFAR4CASR
SCHEMBL5542326 0.80 KDM4E (0.58) KDM4EALDH1A1MAPTHTTME3
SCHEMBL5534511 0.80 ME3 (0.43) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL5538167 0.80 ROCK2 (0.39) NOTUMROCK2CHRM4KDM4EALDH1A1
SCHEMBL5537491 0.79 ME3 (0.44) CHRM4GAACASRME3
SCHEMBL14917221 0.78 GALR2 (0.54) ROCK2PIM1GALR2GALR1
SCHEMBL2089673 0.77 CHRM4 (0.48) NOTUMCHRM4
SCHEMBL5534883 0.77 ME3 (0.61) KDM4EALDH1A1LMNAGAAMAPT

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 3827/4885ROCK2 2089/4885CHRM4 962/4885

“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.