SCHEMBL5536330

SCHEMBL5536330

[CH2]C/C=C/Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KIF11 P52732 6/20 0.40
EPHX2 P34913 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 1/20 0.38
IDO1 P14902 2/20 0.36
CDK1 P06493 1/20 0.36
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
CA12 O43570 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL5536333 1.00 TGM2 (0.42) TGM2NPSR1KIF11EPHX2CA1
SCHEMBL5542702 0.79 MAPT (0.41) TGM2NPSR1CA1CA2NPC1
SCHEMBL5543113 0.79 TGM2 (0.46) TGM2NPSR1KIF11EPHX2CA1
SCHEMBL5543119 0.79 TGM2 (0.46) TGM2NPSR1KIF11EPHX2CA1
SCHEMBL5548191 0.74 TGM2 (0.53) TGM2NPSR1KIF11EPHX2CA1
SCHEMBL5548453 0.74 ALDH1A1 (0.44) TGM2NPSR1IDO1NPC1ALDH1A1
SCHEMBL5548450 0.74 ALDH1A1 (0.44) TGM2NPSR1IDO1NPC1ALDH1A1
SCHEMBL1044870 0.71 CYP1A2 (0.50) CA1CA2
SCHEMBL1044871 0.71 CYP1A2 (0.50) CA1CA2
SCHEMBL3246408 0.70 CA1 (0.48) TGM2NPSR1KIF11EPHX2CA1

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 3103/4885NPSR1 747/4885KIF11 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.