SCHEMBL5536299

SCHEMBL5536299

O=CNCc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH7 P40394 1/20 0.42
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
XBP1 P17861 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 3/20 0.37
EPHX1 P07099 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
NOTUM Q6P988 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
SCHEMBL3320729 0.85 ADH1B (0.46) ADH1BADH1CADH1AADH7PTPN7
Hydrochloric Acid SCHEMBL4027237 0.83 ADH1B (0.44) ADH1BADH1CADH1AADH7PTPN7
SCHEMBL3310956 0.82 PTPN7 (0.49) ADH1BADH1CADH1AADH7PTPN7
SCHEMBL12497617 0.81 IDO1 (0.51) ADH1BADH1CADH1AADH7
SCHEMBL7861160 0.80 MAPT (0.39) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL5398523 0.79 ADH1B (0.50) ADH1BADH1CADH1AADH7MAPT
SCHEMBL2582599 0.79 KIF11 (0.47) ADH1BADH1CADH1AADH7PTPN7
Hydrochloric Acid SCHEMBL5385065 0.78 ADH1B (0.48) ADH1BADH1CADH1AADH7MAPT
SCHEMBL5536291 0.77 MAPT (0.38) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL6777347 0.77 ALDH1A1 (0.44) ADH1BADH1CADH1AADH7LMNA

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.