SCHEMBL5543119

SCHEMBL5543119

[CH2]C=CNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.46
KIF11 P52732 5/20 0.44
EPHX2 P34913 1/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.38
MMP2 P08253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
TRPV1 Q8NER1 2/20 0.37

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
SCHEMBL5543113 1.00 TGM2 (0.46) TGM2KIF11EPHX2CA1CA2
SCHEMBL5536333 0.79 TGM2 (0.42) TGM2KIF11EPHX2CA1CA2
SCHEMBL5536330 0.79 TGM2 (0.42) TGM2KIF11EPHX2CA1CA2
SCHEMBL5548191 0.78 TGM2 (0.53) TGM2KIF11EPHX2CA1CA2
SCHEMBL5544303 0.76 GAA (0.61) KIF11EPHX2NPSR1NPC1RAB9A
SCHEMBL5544305 0.76 GAA (0.61) KIF11EPHX2NPSR1NPC1RAB9A
SCHEMBL3246408 0.74 CA1 (0.48) TGM2KIF11EPHX2CA1CA2
SCHEMBL183175 0.74 EPHX2 (0.52) TGM2KIF11EPHX2CA1CA2
SCHEMBL9735985 0.73 CA1 (0.49) TGM2KIF11EPHX2CA1CA2
SCHEMBL9735990 0.73 CA1 (0.49) TGM2KIF11EPHX2CA1CA2

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 TGM2 3103/4885KIF11 3946/4885EPHX2 3662/4885

“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.