SCHEMBL5540561

SCHEMBL5540561

Cc1c([O])cnc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
GPR3 P46089 2/20 0.47
ERN1 O75460 1/20 0.42
TOP2A P11388 1/20 0.41
CYP1A2 P05177 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 2/20 0.38
PDPK1 O15530 1/20 0.38
CA12 O43570 1/20 0.38
PARP1 P09874 1/20 0.38
CA9 Q16790 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL29661797 0.78 CCR1 (0.52) KDM4EGPR3ERN1TOP2ACYP1A2
SCHEMBL3156746 0.78 CCR1 (0.52) KDM4EGPR3ERN1TOP2ACYP1A2
SCHEMBL22758193 0.76 KDM4E (0.44) KDM4EGPR3ERN1TOP2ASMN1; SMN2
SCHEMBL3151805 0.75 KDM4E (0.47) KDM4EGPR3TOP2ACYP1A2TLR7
SCHEMBL4733753 0.75 NCF1 (0.50) KDM4EGPR3TOP2ACYP1A2TLR7
SCHEMBL5517493 0.75 GPR3 (0.47) KDM4EGPR3ERN1TOP2ACYP1A2
SCHEMBL5537097 0.75 KDM4E (0.47) KDM4EGPR3ERN1CYP1A2TLR7
SCHEMBL13064781 0.75 GPR3 (0.47) KDM4EGPR3ERN1TOP2ACYP1A2
SCHEMBL5540567 0.75 ERN1 (0.55) KDM4EGPR3ERN1TOP2ACYP1A2
SCHEMBL19044147 0.75 GPR3 (0.47) KDM4EGPR3ERN1TOP2ACYP1A2

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 KDM4E 4854/4885GPR3 80/4885ERN1 912/4885

“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.