SCHEMBL5538447

SCHEMBL5538447

O=CNCc1ccccc1OC(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHRM2 P08172 7/20 0.35
EPHX2 P34913 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2J2 P51589 1/20 0.34
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL5536287 0.87 HDAC3 (0.48) ADH1BADH1CADH1AADH7HDAC3
SCHEMBL5543352 0.85 MTNR1A (0.36) CHRM2GRIN1GRIN2AKDM4EALDH1A1
SCHEMBL5538442 0.78 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6EPHX2
SCHEMBL5545714 0.78 GRIN1 (0.33) HDAC3HDAC1HDAC2HDAC6GRIN1
SCHEMBL2091969 0.76 L3MBTL1 (0.46) KDM4E
SCHEMBL5072948 0.75 ADH1B (0.47) ADH1BADH1CADH1AADH7CHRM2
SCHEMBL350875 0.75 ALDH1A1 (0.58) CHRM2GRIN1GRIN2ABCHEACHE
SCHEMBL5536278 0.74 CHRM2 (0.33) CHRM2GRIN1ALDH1A1
SCHEMBL30595834 0.73 ADH1B (0.62) ADH1BADH1CADH1AADH7CHRM2
SCHEMBL8763191 0.73 ADH1B (0.62) ADH1BADH1CADH1AADH7CHRM2

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 ADH1B 281/4885ADH1C 285/4885ADH1A 494/4885

“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.