SCHEMBL5542318

SCHEMBL5542318

COc1ccc(OCC2CC[N]C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM1A O60341 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 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
SCHEMBL2298890 0.86 TDP1 (0.57) TDP1DRD2DRD4PKMKDM4E
SCHEMBL5537516 0.83 TDP1 (0.46) TDP1DRD2DRD4
SCHEMBL5652518 0.80 CYP19A1 (0.45)
SCHEMBL5652520 0.80 CYP19A1 (0.45)
SCHEMBL16838742 0.80 TDP1 (0.73) TDP1DRD2DRD4PKMPARP15
SCHEMBL5537902 0.80 MAOB (0.42) TDP1DRD4KDM4EKDM1APARP15
SCHEMBL16838743 0.77 TDP1 (0.69) TDP1KDM4EPARP15PARP10PARP2
SCHEMBL3154460 0.73 TDP1 (0.43) TDP1DRD2DRD4PARP15PARP10
SCHEMBL3964389 0.72 CYP19A1 (0.47) MEN1KMT2A
SCHEMBL20052300 0.72 TDP1 (0.63) TDP1DRD2DRD4PARP15PARP10

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 TDP1 4666/4885DRD2 542/4885DRD4 368/4885

“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.