SCHEMBL5534908

SCHEMBL5534908

C[C@]1(CN2CCC(Nc3ccc(OC(F)(F)F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.65
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
CACNA1C Q13936 1/20 0.46
SCN5A Q14524 1/20 0.46
CHRM1 P11229 1/20 0.45
CXCR3 P49682 1/20 0.37
EPHX2 P34913 5/20 0.36
ROCK2 O75116 1/20 0.36
MCHR1 Q99705 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
BACE1 P56817 2/20 0.34
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL5534914 1.00 KCNH2 (0.65) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5545894 0.88 PTGS1 (0.75) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5541906 0.88 PTGS1 (0.75) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5542315 0.88 PTGS1 (0.75) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5536650 0.86 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5536656 0.86 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5538950 0.86 KCNH2 (0.70) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL56977 0.86 KCNH2 (0.70) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5538943 0.86 KCNH2 (0.70) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5540042 0.86 KCNH2 (0.70) KCNH2PTGS1SLC6A2SLC6A4CACNA1C

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 3503/4885PTGS1 3838/4885SLC6A2 3396/4885

“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.