SCHEMBL5536006

SCHEMBL5536006

Fc1ccccc1CC[C]=S

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
AOC3 Q16853 1/20 0.46
DAO P14920 3/20 0.42
IDO1 P14902 2/20 0.42
MPO P05164 2/20 0.41
MAOB P27338 3/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
MAOA P21397 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5539423 0.83 TAAR1 (0.38) TAAR1AOC3DAOIDO1MPO
SCHEMBL1151583 0.78 TAAR1 (0.56) TAAR1AOC3DAOIDO1MPO
SCHEMBL5538107 0.78 TAAR1 (0.56) TAAR1AOC3DAOIDO1MPO
SCHEMBL8526001 0.78 TAAR1 (0.75) TAAR1AOC3DAOIDO1MPO
SCHEMBL2143301 0.77 TAAR1 (0.48) TAAR1AOC3IDO1MPOLMNA
SCHEMBL5609925 0.75 TAAR1 (0.62) TAAR1AOC3DAOIDO1MPO
SCHEMBL5540201 0.74 TAAR1 (0.54) TAAR1AOC3DAOIDO1GPR84
SCHEMBL30660239 0.74 TAAR1 (0.68) TAAR1AOC3DAOIDO1MPO
SCHEMBL5544232 0.72 HTR2A (0.37) IDO1ALDH1A1
SCHEMBL575058 0.72 TAAR1 (0.73) TAAR1AOC3DAOIDO1MPO

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 TAAR1 364/4885AOC3 259/4885DAO 1115/4885

“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.