SCHEMBL5541730

SCHEMBL5541730

C[C@](O)(CN1CCN(N=Cc2ccc(OC(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
MAPK1 P28482 4/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
BACE1 P56817 2/20 0.35
CHRM1 P11229 1/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5541743 1.00 KCNH2 (0.39) KCNH2MAPK1MAPTSMN1; SMN2L3MBTL1
SCHEMBL5541725 1.00 KCNH2 (0.39) KCNH2MAPK1MAPTSMN1; SMN2L3MBTL1
SCHEMBL5543344 0.89 MAPT (0.45) MAPK1MAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL5543337 0.89 MAPT (0.45) MAPK1MAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL5543334 0.89 MAPT (0.45) MAPK1MAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL58326 0.85 PTGS1 (0.44) KCNH2MAPK1MAPTL3MBTL1CHRM1
SCHEMBL58327 0.85 PTGS1 (0.44) KCNH2MAPK1MAPTL3MBTL1CHRM1
SCHEMBL5540739 0.82 PTGS1 (0.48) KCNH2CHRM1
SCHEMBL5546655 0.81 MCHR1 (0.40) KCNH2CHRM1
SCHEMBL5542314 0.81 MCHR1 (0.40) KCNH2CHRM1

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 3503/4885MAPK1 1392/4885MAPT 4117/4885

“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.