SCHEMBL5540878

SCHEMBL5540878

CC(O)(CN1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
LIPE Q05469 2/20 0.38
FPR2 P25090 2/20 0.38
PROKR1 Q8TCW9 2/20 0.38
PRKAA2 P54646 1/20 0.37
MMP13 P45452 3/20 0.35
MMP2 P08253 2/20 0.35
KCNH2 Q12809 2/20 0.35
SCN9A Q15858 2/20 0.35
SCN5A Q14524 1/20 0.35
MMP12 P39900 1/20 0.35
MCHR1 Q99705 3/20 0.35
TEAD1 P28347 1/20 0.35
EPHX2 P34913 1/20 0.35
CSF1R P07333 1/20 0.34
FLT3 P36888 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
SCHEMBL5543252 1.00 ADRB2 (0.41) ADRB2PTGS1SLC6A2SLC6A4LIPE
SCHEMBL5540739 0.91 PTGS1 (0.48) PTGS1SLC6A2SLC6A4FPR2PROKR1
SCHEMBL14438023 0.89 DRD2 (0.39) PTGS1SLC6A2SLC6A4
SCHEMBL5536402 0.88 CARM1 (0.45) MMP13MMP2SCN9ASCN5A
SCHEMBL5536393 0.88 CARM1 (0.45) MMP13MMP2SCN9ASCN5A
SCHEMBL5541112 0.87 LIPE (0.41) ADRB2PTGS1SLC6A2SLC6A4LIPE
SCHEMBL5541109 0.87 LIPE (0.41) ADRB2PTGS1SLC6A2SLC6A4LIPE
SCHEMBL5542997 0.87 GRM2 (0.39) PRKAA2MCHR1
SCHEMBL5543009 0.87 GRM2 (0.39) PRKAA2MCHR1
SCHEMBL5543775 0.87 CARM1 (0.36) ADRB2PRKAA2MMP13MMP2KCNH2

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 ADRB2 149/4885PTGS1 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.