SCHEMBL5534646

SCHEMBL5534646

CC1(COc2ccc(C(=O)N3CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.72
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
LSS P48449 1/20 0.50
STAT3 P40763 5/20 0.45
CHRM1 P11229 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5534642 1.00 KCNH2 (0.72) KCNH2PTGS1SLC6A2SLC6A4LSS
SCHEMBL6010775 0.91 KCNH2 (0.71) KCNH2PTGS1SLC6A2SLC6A4LSS
SCHEMBL5539475 0.90 KCNH2 (0.75) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5539481 0.90 KCNH2 (0.75) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5536515 0.88 KCNH2 (0.77) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5544893 0.88 KCNH2 (0.77) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5544901 0.88 KCNH2 (0.77) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL2089220 0.86 KCNH2 (0.73) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL1754225 0.86 KCNH2 (0.73) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL1753947 0.86 KCNH2 (0.73) KCNH2PTGS1SLC6A2SLC6A4CHRM1

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.