SCHEMBL5536901

SCHEMBL5536901

CC1(COC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.50
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5536898 1.00 KCNH2 (0.50) KCNH2DRD2DRD4PTGS1SLC6A2
SCHEMBL5539070 0.84 KCNH2 (0.56) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL3465287 0.83 KCNH2 (0.61) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5534493 0.82 KCNH2 (0.51) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5534497 0.82 KCNH2 (0.51) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5535340 0.82 PTGS1 (0.61) KCNH2DRD2DRD4PTGS1SLC6A2
SCHEMBL5535328 0.82 PTGS1 (0.61) KCNH2DRD2DRD4PTGS1SLC6A2
SCHEMBL5541282 0.82 PTGS1 (0.61) KCNH2DRD2DRD4PTGS1SLC6A2
SCHEMBL5542663 0.82 KCNH2 (0.49) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5542659 0.82 KCNH2 (0.49) 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 3503/4885DRD2 542/4885DRD4 368/4885

“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.