SCHEMBL5537097

SCHEMBL5537097

Cc1cnc2ccccc2c1[O]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
GPR3 P46089 1/20 0.47
ERN1 O75460 1/20 0.42
NPC1 O15118 1/20 0.40
CYP1A2 P05177 2/20 0.39
TLR7 Q9NYK1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL3156746 0.78 CCR1 (0.52) KDM4EGPR3ERN1CYP1A2TLR7
SCHEMBL29661797 0.78 CCR1 (0.52) KDM4EGPR3ERN1CYP1A2TLR7
SCHEMBL30409628 0.75 MAOA (0.50) KDM4EGPR3CYP1A2TLR7ALDH1A1
SCHEMBL2125593 0.75 MAOA (0.50) KDM4EGPR3CYP1A2TLR7ALDH1A1
SCHEMBL2519637 0.75 KDM4E (0.50) KDM4EGPR3CYP1A2ALDH1A1MAPT
SCHEMBL23474020 0.75 GPR3 (0.52) KDM4EGPR3ERN1NPC1CYP1A2
SCHEMBL23597000 0.75 GPR3 (0.47) KDM4EGPR3ERN1CYP1A2TLR7
SCHEMBL5537100 0.75 HTT (0.50) KDM4EGPR3ERN1CYP1A2TLR7
SCHEMBL5540561 0.75 KDM4E (0.47) KDM4EGPR3ERN1CYP1A2TLR7
SCHEMBL3150945 0.75 ERN1 (0.64) KDM4EGPR3ERN1CYP1A2TLR7

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.