SCHEMBL5536087

SCHEMBL5536087

[CH2]CCCCc1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.49
IL4I1 Q96RQ9 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
OGT O15294 1/20 0.42
CREBBP Q92793 1/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PDE10A Q9Y233 1/20 0.40
KMO O15229 1/20 0.40
ALPL P05186 1/20 0.39
PTGDR Q13258 1/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 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
SCHEMBL5536042 0.98 NOS1 (0.47) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL5535563 0.95 NOS1 (0.50) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL5545754 0.89 NOS1 (0.53) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL5543895 0.88 NOS1 (0.49) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL5536718 0.87 NOS1 (0.47) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL4891443 0.85 KDM4E (0.51) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL175901 0.85 NOS1 (0.53) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL7408427 0.85 NOS1 (0.49) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL8786452 0.85 NOS1 (0.49) NOS1IL4I1KDM4EALDH1A1PDE3B
SCHEMBL5543089 0.83 NOS1 (0.50) NOS1IL4I1KDM4EALDH1A1PDE3B

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 NOS1 553/4885IL4I1 676/4885KDM4E 4854/4885

“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.