SCHEMBL5542569

SCHEMBL5542569

[O]c1ccc(N2CCC(Nc3cccc(OC(F)(F)F)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 1/20 0.44
CHRM4 P08173 4/20 0.43
FFAR4 Q5NUL3 1/20 0.42
CASR P41180 4/20 0.42
PIM1 P11309 2/20 0.42
CXCR3 P49682 1/20 0.41
GALR2 O43603 2/20 0.40
GALR1 P47211 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 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
SCHEMBL5538167 0.91 ROCK2 (0.39) NOTUMROCK2ROCK1CHRM4FFAR4
SCHEMBL5542573 0.88 NOTUM (0.46) NOTUMROCK2ROCK1CHRM4FFAR4
SCHEMBL5544277 0.85 EPHX2 (0.46) CHRM4FFAR4CASR
SCHEMBL5542321 0.80 KDM4E (0.58) ROCK2
SCHEMBL5534508 0.80 IDH2 (0.40)
SCHEMBL5538171 0.80 KDM4E (0.41) NOTUMROCK2CHRM4PIM1
SCHEMBL2096658 0.79 SCN4A (0.45) NOTUMROCK2PIM1CXCR3GALR2
SCHEMBL5537487 0.79 DDB1 (0.46) CHRM4CASR
SCHEMBL14917221 0.78 GALR2 (0.54) ROCK2PIM1GALR2GALR1CTSL
SCHEMBL5534878 0.77 ME3 (0.47)

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 2089/4885ROCK1 2494/4885

“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.