SCHEMBL5543802

SCHEMBL5543802

O=[C]OCC=CCc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
IDO1 P14902 4/20 0.38
AGXT P21549 2/20 0.38
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31
DAO P14920 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL5543799 1.00 KCNH2 (0.39) KCNH2IDO1AGXTMAOBMAOA
SCHEMBL5546871 0.83 KCNH2 (0.41) KCNH2IDO1AGXTMAOBTAAR1
SCHEMBL5546873 0.83 KCNH2 (0.41) KCNH2IDO1AGXTMAOBTAAR1
SCHEMBL5537027 0.83 KCNH2 (0.37) KCNH2IDO1AGXTMAOBMAOA
SCHEMBL5537031 0.83 KCNH2 (0.37) KCNH2IDO1AGXTMAOBMAOA
SCHEMBL4400542 0.81 MAOB (0.58) KCNH2IDO1AGXTMAOB
SCHEMBL4400539 0.81 MAOB (0.58) KCNH2IDO1AGXTMAOB
SCHEMBL5539064 0.80 KCNH2 (0.37) KCNH2IDO1AGXTTAAR1DAO
SCHEMBL5539067 0.80 KCNH2 (0.37) KCNH2IDO1AGXTTAAR1DAO
SCHEMBL5542921 0.80 KCNH2 (0.38) KCNH2IDO1AGXTMAOBKMT2A

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 3503/4885IDO1 3181/4885AGXT 2967/4885

“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.