SCHEMBL5546503

SCHEMBL5546503

CCc1ccccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.70
SLC6A2 P23975 10/20 0.70
SLC6A3 Q01959 7/20 0.70
AR P10275 2/20 0.53
RIPK1 Q13546 1/20 0.47
GRIN2B Q13224 1/20 0.46
HTR2A P28223 3/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6151984 0.83 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR2AMAPT
SCHEMBL18313564 0.82 AR (0.51) SLC6A4SLC6A2SLC6A3ARRIPK1
SCHEMBL1046654 0.82 MAPT (0.48) SLC6A4SLC6A2SLC6A3ARGRIN2B
SCHEMBL5542724 0.81 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3ARRIPK1
SCHEMBL327806 0.80 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3ARRIPK1
SCHEMBL5023464 0.79 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3ARRIPK1
SCHEMBL5024669 0.79 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3ARRIPK1
Hydrogen Sulfide SCHEMBL28150140 0.78 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3ARRIPK1
SCHEMBL22167231 0.77 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3ARRIPK1
SCHEMBL29552882 0.77 HRH1 (0.53) SLC6A4SLC6A2SLC6A3ARRIPK1

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 SLC6A4 4191/4885SLC6A2 3396/4885SLC6A3 1944/4885

“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.