SCHEMBL5544749

SCHEMBL5544749

[CH2]c1ccc(-c2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.47
DHODH Q02127 4/20 0.45
SLC6A7 Q99884 1/20 0.44
XDH P47989 1/20 0.43
GALR1 P47211 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KCNH2 Q12809 2/20 0.43
MME P08473 1/20 0.43
DYRK1A Q13627 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
NPY5R Q15761 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.41
SCN5A Q14524 1/20 0.41
GRM5 P41594 1/20 0.41
PDE10A Q9Y233 1/20 0.41
DRD1 P21728 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL2091180 0.87 XDH (0.44) SLC13A5DHODHSLC6A7XDHGALR1
SCHEMBL5840598 0.85 SLC13A5 (0.51) SLC13A5DHODHXDHGALR1FFAR1
SCHEMBL27900220 0.85 SLC13A5 (0.53) SLC13A5DHODHSLC6A7XDHGALR1
SCHEMBL5379608 0.82 ESR1 (0.55) SLC13A5DHODHSLC6A7XDHGALR1
SCHEMBL1337217 0.82 TAAR1 (0.52) SLC13A5DHODHSLC6A7XDHGALR1
SCHEMBL5544095 0.82 SCN5A (0.48) SLC13A5DHODHNPY5RSCN5A
SCHEMBL1044062 0.82 CYP1A2 (0.51) SLC13A5DHODHSLC6A7XDHGALR1
SCHEMBL8350961 0.81 DRD1 (0.48) SLC13A5DHODHSLC6A7XDHGALR1
SCHEMBL30996181 0.81 ABL1 (0.61) SLC13A5KCNH2DYRK1ASCN10A
SCHEMBL2088727 0.81 KIF11 (0.49) GALR1SCN5A

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 SLC13A5 2222/4885DHODH 301/4885SLC6A7 4137/4885

“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.