SCHEMBL5536181

SCHEMBL5536181

[CH2]c1ccccc1Oc1ccc(F)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
SLC6A4 P31645 4/20 0.46
KCNH2 Q12809 2/20 0.46
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
AR P10275 3/20 0.38
BCAT2 O15382 1/20 0.38
BCAT1 P54687 1/20 0.38
EPAS1 Q99814 2/20 0.37
ACHE P22303 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL11392352 0.77 LTA4H (0.48) HTR2ASLC6A4KCNH2ACHEALDH1A1
SCHEMBL5537197 0.77 ALDH1A1 (0.51) HTR2ASLC6A4KCNH2ARALDH1A1
SCHEMBL3755349 0.76 ALDH1A1 (0.49) HTR2ASLC6A4ALDH1A1MAPK1HTT
SCHEMBL29230467 0.75 HTR2A (0.43) HTR2ASLC6A4KCNH2HTR2CHTR2B
SCHEMBL5540892 0.75 SLC6A4 (0.37) HTR2ASLC6A4ALDH1A1MAPK1HTT
SCHEMBL4266095 0.74 HTR2A (0.51) HTR2ASLC6A4ACHEALDH1A1MAPK1
SCHEMBL20084804 0.74 HTR2A (0.55) HTR2ASLC6A4KCNH2ARACHE
SCHEMBL5541683 0.74 ALDH1A1 (0.64) ARACHEALDH1A1HTTL3MBTL1
SCHEMBL10545489 0.74 PARP10 (0.47) HTR2ASLC6A4ALDH1A1MAPK1HTT
SCHEMBL5536030 0.73 CYP1A2 (0.40) HTR2ASLC6A4EPAS1ALDH1A1MAPK1

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.