SCHEMBL5539693

SCHEMBL5539693

[CH2]CCCN(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPT P10636 2/20 0.36
PYCR1 P32322 1/20 0.36
SLC6A4 P31645 4/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 2/20 0.34
OPRM1 P35372 2/20 0.33
OPRL1 P41146 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TP53 P04637 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NPC1 O15118 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
ABCB1 P08183 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL5539145 0.89 KIF11 (0.41) KIF11NR1H2NR1H3PYCR1SLC6A4
SCHEMBL15362902 0.84 MAPT (0.51) KIF11NR1H2NR1H3MAPTMEN1
SCHEMBL13261444 0.82 MAPT (0.46) KIF11NR1H2NR1H3MAPTSLC6A4
SCHEMBL2099195 0.81 KIF11 (0.43) KIF11NR1H2NR1H3PYCR1SLC6A4
SCHEMBL4089112 0.81 PTPN1 (0.40) KIF11NR1H2NR1H3MAPTPYCR1
SCHEMBL19865673 0.81 MAPT (0.45) KIF11NR1H2NR1H3MAPTMEN1
SCHEMBL20284303 0.79 KIF11 (0.42) KIF11NR1H2NR1H3MAPTPYCR1
SCHEMBL4089138 0.79 MLYCD (0.42) KIF11NR1H2NR1H3OPRM1OPRL1
SCHEMBL5546486 0.78 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3TSHRDHFR
SCHEMBL13223821 0.78 SLC6A4 (0.37) KIF11NR1H2NR1H3MAPTSLC6A4

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 KIF11 3946/4885NR1H2 33/4885NR1H3 22/4885

“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.