SCHEMBL5544824

SCHEMBL5544824

[CH2]c1ccccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.54
SLC6A4 P31645 16/20 0.54
KCNH2 Q12809 14/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP3A5 P20815 1/20 0.45
CYP2C19 P33261 1/20 0.45
AR P10275 1/20 0.43
KMO O15229 1/20 0.42

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
SCHEMBL5537197 0.84 ALDH1A1 (0.51) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL5544080 0.83 L3MBTL1 (0.47) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL14397395 0.82 HTR2A (0.58) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL11171365 0.79 HTT (0.50) HTR2ASLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL8954692 0.78 HTR2A (0.54) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL1341069 0.78 GAA (0.62) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL21820786 0.75 HSP90AA1 (0.71) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL5541601 0.74 HPGD (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL10614755 0.74 KMO (0.62) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL8886798 0.74 HTR2A (0.66) HTR2ASLC6A4KCNH2SLC6A2SLC6A3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 HTR2A 4120/4885SLC6A4 4191/4885KCNH2 3503/4885

“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.