SCHEMBL5546700

SCHEMBL5546700

CC1(CN2CCN(Cc3ccc(F)cc3)C2=O)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.57
CACNA1C Q13936 1/20 0.57
SCN5A Q14524 1/20 0.57
SOS1 Q07889 1/20 0.43
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
RAB9A P51151 1/20 0.38
POLB P06746 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.36
SCD O00767 1/20 0.35
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
CHRM1 P11229 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRM2 Q14416 1/20 0.32

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
SCHEMBL5541465 0.92 KCNH2 (0.47) KCNH2CACNA1CSCN5ASOS1PTGS1
SCHEMBL5542770 0.91 KCNH2 (0.47) KCNH2CACNA1CSCN5ASOS1PTGS1
SCHEMBL5545387 0.91 KCNH2 (0.48) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5535824 0.89 KCNH2 (0.51) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5538036 0.79 KCNH2 (0.48) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5542042 0.78 KCNH2 (0.50) KCNH2CACNA1CSCN5ASOS1PTGS1
SCHEMBL5535230 0.78 KCNH2 (0.48) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5540938 0.78 KCNH2 (0.45) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5542030 0.78 KCNH2 (0.50) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5542960 0.78 KCNH2 (0.50) 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.