SCHEMBL5542655

SCHEMBL5542655

Cc1cc([O])cc2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 1/20 0.47
ATAD2 Q6PL18 1/20 0.46
CCR1 P32246 1/20 0.46
CCR8 P51685 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR4A2 P43354 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SYK P43405 1/20 0.39
BACE1 P56817 1/20 0.39
NUDT1 P36639 1/20 0.39
HTT P42858 2/20 0.39
BRD4 O60885 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ERN1 O75460 1/20 0.39

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) CYP1A2CYP1B1ATAD2CCR1CCR8
SCHEMBL19001719 0.77 CCR1 (0.46) CYP1A2CYP1B1ATAD2CCR1CCR8
SCHEMBL18515670 0.77 CCR1 (0.46) CYP1A2CYP1B1ATAD2CCR1CCR8
SCHEMBL18318451 0.77 CYP1A2 (0.48) CYP1A2CYP1B1ATAD2CCR1CCR8
SCHEMBL15765873 0.77 NR4A2 (0.62) CYP1A2CYP1B1CCR1CCR8KDM4E
SCHEMBL5542662 0.77 ALDH1A1 (0.48) CYP1A2CYP1B1CCR1CCR8KDM4E
SCHEMBL28811930 0.76 KDM4E (0.54) CYP1A2CYP1B1ATAD2CCR1CCR8
SCHEMBL5542988 0.74 CCR1 (0.48) CYP1A2CYP1B1ATAD2CCR1CCR8
SCHEMBL8654916 0.74 CCR1 (0.61) CYP1A2CYP1B1ATAD2CCR1CCR8
SCHEMBL17691559 0.74 PSMB5 (0.50) CYP1A2CYP1B1CCR1CCR8KDM4E

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 CYP1A2 659/4885CYP1B1 1052/4885ATAD2 1255/4885

“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.