SCHEMBL5540871

SCHEMBL5540871

O=CNCCCc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
LIPG Q9Y5X9 1/20 0.44
CNR1 P21554 1/20 0.43
DAO P14920 1/20 0.41
IDO1 P14902 2/20 0.41
SCN8A Q9UQD0 1/20 0.41
EPHX2 P34913 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
NR3C2 P08235 1/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 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
SCHEMBL5544075 0.90 CNR1 (0.48) HDAC1HDAC8LIPGCNR1DAO
SCHEMBL1508252 0.81 HDAC1 (0.48) HDAC1HDAC8LIPGCNR1DAO
SCHEMBL3129448 0.80 ADH1B (0.47) HDAC1IDO1SCN8AEPHX2KMT2A
SCHEMBL5540185 0.78 IDO1 (0.52) HDAC1HDAC8CNR1DAOIDO1
SCHEMBL5540863 0.77 HDAC1 (0.48) HDAC1HDAC8LIPGCNR1DAO
SCHEMBL5539433 0.77 DRD2 (0.40) HDAC1EPHX2
SCHEMBL1043968 0.75 HDAC1 (0.51) HDAC1HDAC8LIPGCNR1DAO
SCHEMBL7294140 0.75 MPO (0.64) KDM4E
SCHEMBL5071552 0.75 CHRM2 (0.53) CNR1KMT2AMEN1ALDH1A1
SCHEMBL2091955 0.74 IDO1 (0.45) HDAC1HDAC8LIPGCNR1DAO

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 HDAC1 322/4885HDAC8 993/4885LIPG 4880/4885

“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.