SCHEMBL5546499

SCHEMBL5546499

C[CH]c1ccccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.54
SLC6A2 P23975 3/20 0.54
SLC6A3 Q01959 2/20 0.54
LMNA P02545 5/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 4/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.38
MAP2K1 Q02750 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRIN2B Q13224 1/20 0.37
P2RY1 P47900 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
SCHEMBL1046653 0.82 PTGES2 (0.40) SLC6A4SLC6A2SLC6A3ALDH1A1L3MBTL1
SCHEMBL5407816 0.80 LMNA (0.64) SLC6A4SLC6A2LMNAALDH1A1CYP1A2
SCHEMBL13680420 0.77 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3ALDH1A1CYP1A2
SCHEMBL9589491 0.74 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3L3MBTL1KMT2A
SCHEMBL5547961 0.74 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3ALDH1A1L3MBTL1
SCHEMBL643390 0.74 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3ALDH1A1CYP1A2
SCHEMBL5546503 0.73 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3L3MBTL1KMT2A
SCHEMBL2095894 0.73 PIM1 (0.42) SLC6A4SLC6A2SLC6A3ALDH1A1L3MBTL1
SCHEMBL9589204 0.72 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3L3MBTL1KMT2A
SCHEMBL3306191 0.72 LTA4H (0.57) SLC6A4SLC6A2SLC6A3MAPTGRIN2B

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.