SCHEMBL5543215

SCHEMBL5543215

C[C@](O)(COC(=O)NCc1ccccc1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 1/20 0.39
OPRK1 P41145 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.37
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 2/20 0.36
HPGD P15428 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
BCHE P06276 1/20 0.35
PPID Q08752 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL5543223 1.00 CYP3A4 (0.39) CYP3A4CYP2D6OPRK1KMT2AMEN1
SCHEMBL5536294 0.84 MITF (0.40) KMT2AMEN1ALDH1A1MITF
SCHEMBL5536301 0.84 MITF (0.40) KMT2AMEN1ALDH1A1MITF
SCHEMBL5544944 0.81 KMT2A (0.43) CYP3A4CYP2D6KMT2AMEN1GAA
SCHEMBL5544939 0.81 KMT2A (0.43) CYP3A4CYP2D6KMT2AMEN1GAA
SCHEMBL5544138 0.80 MAPT (0.46) CYP3A4KMT2AMEN1CYP2C19CYP2C9
SCHEMBL5544128 0.80 MAPT (0.46) CYP3A4KMT2AMEN1CYP2C19CYP2C9
SCHEMBL5540972 0.79 GAA (0.43) CYP3A4CYP2D6KMT2AMEN1GAA
SCHEMBL5540970 0.79 GAA (0.43) CYP3A4CYP2D6KMT2AMEN1GAA
SCHEMBL5541509 0.79 KMT2A (0.40) KMT2AMEN1ALDH1A1MITF

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 CYP3A4 1683/4885CYP2D6 728/4885OPRK1 660/4885

“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.