SCHEMBL5535585

SCHEMBL5535585

Oc1ccc(N2CCC(Nc3ccccc3F)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
KDM4E B2RXH2 1/20 0.53
ME3 Q16798 4/20 0.50
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
ME2 P23368 2/20 0.42
ME1 P48163 2/20 0.42
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TSHR P16473 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 3/20 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
SCHEMBL5535582 0.86 GAA (0.53) GAAKDM4EME3ALDH1A1TDP1
SCHEMBL5536343 0.83 ME3 (0.50) GAAME3ALDH1A1TDP1ME2
SCHEMBL5538942 0.83 ME3 (0.50) GAAKDM4EME3ALDH1A1TDP1
SCHEMBL5544314 0.82 SCD (0.57) GAAME3TDP1ME2ME1
SCHEMBL5541087 0.80 SCD (0.46) GAAME3ALDH1A1TDP1ME2
SCHEMBL5544175 0.80 TYR (0.53) GAAKDM4EME3ALDH1A1MAPT
SCHEMBL5537491 0.79 ME3 (0.44) GAAME3TDP1ME2ME1
SCHEMBL5534883 0.79 ME3 (0.61) GAAKDM4EME3ALDH1A1TDP1
SCHEMBL5546302 0.78 HPGD (0.45) GAAKDM4EME3ALDH1A1TDP1
SCHEMBL5543886 0.78 ME3 (0.45) ME3ALDH1A1TDP1ME2ME1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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 GAA 4165/4885KDM4E 4854/4885ME3 146/4885

“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.