SCHEMBL5536745

SCHEMBL5536745

Cc1cc([O])c2cccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
ATAD2 Q6PL18 1/20 0.42
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR4A2 P43354 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
SYK P43405 1/20 0.39
BRD4 O60885 1/20 0.39
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
PSMB5 P28074 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL3969039 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTATAD2NPC1
SCHEMBL19170651 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTATAD2NPC1
SCHEMBL3972690 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTATAD2NPC1
SCHEMBL31179024 0.77 NR4A2 (0.62) ALDH1A1KDM4EMAPTNPC1HSP90AA1
SCHEMBL30908153 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTNPC1HSP90AA1
SCHEMBL18318260 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTNPC1HSP90AA1
SCHEMBL5536749 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTNPC1HSP90AA1
SCHEMBL3969034 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTNPC1HSP90AA1
SCHEMBL17839007 0.77 NR4A2 (0.49) ALDH1A1KDM4EMAPTNPC1HSP90AA1
SCHEMBL30908289 0.77 NR4A2 (0.49) ALDH1A1KDM4EMAPTNPC1HSP90AA1

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 ALDH1A1 355/4885KDM4E 4854/4885MAPT 4117/4885

“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.