SCHEMBL5546384

SCHEMBL5546384

C[C@](O)(COC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 1/20 0.42
MDH2 P40926 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
STAT3 P40763 4/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FAAH O00519 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
PIK3CA P42336 2/20 0.38
PRKAA2 P54646 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G7 Q13093 1/20 0.38
MGLL Q99685 1/20 0.38
ABHD6 Q9BV23 1/20 0.38

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
SCHEMBL5546388 1.00 MDH1 (0.42) MDH1MDH2L3MBTL1STAT3CYP2C9
SCHEMBL5540333 0.92 DRD2 (0.46) CYP2C9CYP2C19DRD2DRD4KDM4E
SCHEMBL5540343 0.92 DRD2 (0.46) CYP2C9CYP2C19DRD2DRD4KDM4E
SCHEMBL5539665 0.90 LSS (0.42) STAT3KDM4EALDH1A1MGLL
SCHEMBL5539659 0.90 LSS (0.42) STAT3KDM4EALDH1A1MGLL
SCHEMBL5534954 0.89 ENPP2 (0.45) ALDH1A1MGLL
SCHEMBL5534947 0.89 ENPP2 (0.45) ALDH1A1MGLL
SCHEMBL5534641 0.87 RHOC (0.39) L3MBTL1ALDH1A1
SCHEMBL5534637 0.87 RHOC (0.39) L3MBTL1ALDH1A1
SCHEMBL5544607 0.85 MAOA (0.37) CYP2C19

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 MDH1 418/4885MDH2 247/4885L3MBTL1 1931/4885

“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.