SCHEMBL5534508

SCHEMBL5534508

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
MALT1 Q9UDY8 2/20 0.38
PHGDH O43175 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
XBP1 P17861 1/20 0.37
EPHX2 P34913 1/20 0.37
HTT P42858 1/20 0.37
MLNR O43193 2/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
APP P05067 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL5534511 0.88 ME3 (0.43) IDH2LMNAMAPTMALT1PHGDH
SCHEMBL5543622 0.85 HDAC1 (0.41) MAPTPHGDHKDM4EALDH1A1POLB
SCHEMBL5542321 0.81 KDM4E (0.58) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL5538167 0.81 ROCK2 (0.39) LMNAMAPTKDM4EALDH1A1POLB
SCHEMBL5542569 0.80 NOTUM (0.46)
SCHEMBL2091345 0.78 PCSK9 (0.40) IDH2LMNAMAPTMALT1PHGDH
SCHEMBL5534878 0.78 ME3 (0.47) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL5542611 0.77 CA2 (0.49) LMNAMAPTPHGDHEPHX2
SCHEMBL2090674 0.76 IDH2 (0.39) IDH2MAPTMALT1PHGDHKDM4E
SCHEMBL5541081 0.76 SCD (0.46) MAPTKDM4EEPHX2

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 IDH2 131/4885LMNA 4152/4885MAPT 4117/4885

“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.