SCHEMBL5539255

SCHEMBL5539255

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
TAAR1 Q96RJ0 3/20 0.37
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
MIF P14174 1/20 0.35
MAOB P27338 3/20 0.33
AOC3 Q16853 1/20 0.33
PDPK1 O15530 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL5539262 1.00 KCNH2 (0.41) KCNH2TAAR1IDO1AGXTMIF
SCHEMBL5546871 0.87 KCNH2 (0.41) KCNH2TAAR1IDO1AGXTMIF
SCHEMBL5537027 0.87 KCNH2 (0.37) KCNH2IDO1AGXTMAOBKMT2A
SCHEMBL5546873 0.87 KCNH2 (0.41) KCNH2TAAR1IDO1AGXTMIF
SCHEMBL5537031 0.87 KCNH2 (0.37) KCNH2IDO1AGXTMAOBKMT2A
SCHEMBL5546354 0.83 GPR52 (0.45)
SCHEMBL5546356 0.83 GPR52 (0.45)
SCHEMBL2096495 0.82 TAAR1 (0.45) TAAR1IDO1AGXTMIFMAOB
SCHEMBL2094550 0.79 KCNH2 (0.45) KCNH2TAAR1IDO1AGXTMIF
SCHEMBL2094547 0.79 KCNH2 (0.45) KCNH2TAAR1IDO1AGXTMIF

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 3503/4885TAAR1 364/4885IDO1 3181/4885

“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.