SCHEMBL5534947

SCHEMBL5534947

C[C@](O)(COC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.41
MGLL Q99685 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CCR1 P32246 2/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
VDR P11473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5534954 1.00 ENPP2 (0.45) ENPP2LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5542473 0.92 MAPT (0.45) ENPP2LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5542481 0.92 MAPT (0.45) ENPP2LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5546002 0.91 LMNA (0.46) ENPP2LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5546006 0.91 LMNA (0.46) ENPP2LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5543972 0.90 ALDH1A1 (0.49) ENPP2LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5543982 0.90 ALDH1A1 (0.49) ENPP2LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5536163 0.90 PTGS1 (0.43) ENPP2LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5536156 0.90 PTGS1 (0.43) ENPP2LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5546384 0.89 MDH1 (0.42) ALDH1A1MGLL

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 ENPP2 2915/4885LMNA 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.