SCHEMBL5537161

SCHEMBL5537161

C[C@]1(CN2CCN(C=CC(=O)c3ccc(Cl)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45
KMT2A Q03164 5/20 0.38
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 2/20 0.32
ALOX12 P18054 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31

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
SCHEMBL5544246 0.91 KCNH2 (0.43) KCNH2CACNA1CSCN5AKMT2APTGS1
SCHEMBL5535628 0.85 KCNH2 (0.48) KCNH2CACNA1CSCN5AKMT2APTGS1
SCHEMBL5535633 0.85 KCNH2 (0.48) KCNH2CACNA1CSCN5AKMT2APTGS1
SCHEMBL5545735 0.85 KMT2A (0.49) KCNH2CACNA1CSCN5AKMT2APTGS1
SCHEMBL5537023 0.82 GAA (0.52) KCNH2CACNA1CSCN5AKMT2APTGS1
SCHEMBL5537028 0.82 GAA (0.52) KCNH2CACNA1CSCN5AKMT2APTGS1
SCHEMBL5537025 0.82 GAA (0.52) KCNH2CACNA1CSCN5AKMT2APTGS1
SCHEMBL5547792 0.82 KCNH2 (0.47) KCNH2CACNA1CSCN5AKMT2APTGS1
SCHEMBL5537162 0.82 SMN1; SMN2 (0.48) KCNH2CACNA1CSCN5AKMT2AL3MBTL1
SCHEMBL5546323 0.81 KCNH2 (0.51) KCNH2CACNA1CSCN5AKMT2APTGS1

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 KCNH2 3503/4885CACNA1C 3762/4885SCN5A 3856/4885

“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.