SCHEMBL5544372

SCHEMBL5544372

CC1(COC(=O)Nc2cccc(F)c2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.52
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 4/20 0.39
MAPK1 P28482 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 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
SCHEMBL5542983 0.84 KCNH2 (0.53) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5535073 0.83 KCNH2 (0.52) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5542204 0.81 KCNH2 (0.57) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5542198 0.81 KCNH2 (0.57) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5542192 0.81 KCNH2 (0.57) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5547392 0.80 KCNH2 (0.49) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5534763 0.80 KCNH2 (0.53) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL14775099 0.78 KCNH2 (0.60) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5545125 0.77 KCNH2 (0.42) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL18031088 0.77 KCNH2 (0.67) KCNH2CACNA1CSCN5APTGS1SLC6A2

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.