SCHEMBL5543369

SCHEMBL5543369

FC(F)(F)c1ccc(-n2[c]ccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
KIF11 P52732 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MPI P34949 1/20 0.35
PHOSPHO1 Q8TCT1 1/20 0.35
NOTUM Q6P988 2/20 0.34
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
HIF1A Q16665 1/20 0.33
XDH P47989 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL5545624 0.81 ADRB1 (0.38) ALDH1A1NOTUMPKMMAPTCES2
SCHEMBL8634060 0.80 NOTUM (0.47) ALDH1A1TSHRMPIPHOSPHO1NOTUM
SCHEMBL4601153 0.77 L3MBTL1 (0.38) ALDH1A1TSHRMAPTRAB9AL3MBTL1
SCHEMBL2238653 0.69 ALDH1A1 (0.52) ALDH1A1TSHRKIF11TRPV1TDP1
SCHEMBL18770799 0.67 ALDH1A1 (0.50) ALDH1A1TSHRKIF11TRPV1TDP1
SCHEMBL29880724 0.67 ALDH1A1 (0.50) ALDH1A1TSHRKIF11TRPV1TDP1
SCHEMBL5445153 0.65 TDP1 (0.35) ALDH1A1TSHRKIF11TRPV1TDP1
SCHEMBL300545 0.65 KEAP1 (0.43) ALDH1A1MPINOTUMMAPTL3MBTL1
SCHEMBL63468 0.65 ALDH1A1 (0.67) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL4792070 0.64 CA12 (0.49) ALDH1A1TSHRKIF11TRPV1TDP1

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 ALDH1A1 355/4885TSHR 319/4885KIF11 3946/4885

“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.