SCHEMBL5543929

SCHEMBL5543929

[CH2]CC/C=C/N(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
PYCR1 P32322 1/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 2/20 0.33
POLQ O75417 3/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
KCNH2 Q12809 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL5543933 1.00 KIF11 (0.36) KIF11PYCR1GAAIDO1POLQ
SCHEMBL5542544 0.71 KIF11 (0.39) KIF11PYCR1GAAOPRM1OPRL1
SCHEMBL5539145 0.70 KIF11 (0.41) KIF11PYCR1SLC6A2SLC6A4SLC6A3
SCHEMBL2095096 0.70 KIF11 (0.47) KIF11PYCR1GAAOPRM1OPRL1
SCHEMBL2099195 0.70 KIF11 (0.43) KIF11PYCR1IDO1SLC6A2SLC6A4
SCHEMBL1047720 0.69 IDO1 (0.44) KIF11IDO1KDM4ETAAR1
SCHEMBL1047721 0.69 IDO1 (0.44) KIF11IDO1KDM4ETAAR1
SCHEMBL5539693 0.68 KIF11 (0.39) KIF11PYCR1SLC6A2SLC6A4SLC6A3
SCHEMBL2056226 0.66 SLC2A1 (0.58) KIF11PYCR1GAAOPRM1OPRL1
SCHEMBL13367596 0.66 KIF11 (0.50) KIF11PYCR1SLC6A2SLC6A4SLC6A3

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 3946/4885PYCR1 783/4885GAA 4165/4885

“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.