SCHEMBL5541367

SCHEMBL5541367

[O]c1cccc2c1CCC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CYP2A6 P11509 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TYMS P04818 1/20 0.38
ABCB1 P08183 2/20 0.37
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
S100A4 P26447 1/20 0.35
KMT2A Q03164 1/20 0.35
NR3C2 P08235 1/20 0.34
CES1 P23141 1/20 0.33
PDE4D Q08499 1/20 0.33
PARP1 P09874 3/20 0.32
PARP10 Q53GL7 2/20 0.32

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
SCHEMBL5540741 0.87 MAOA (0.50) KDM4ECYP2A6MAOAMAOBTYMS
SCHEMBL30538 0.76 SRD5A1 (0.53) ALDH1A1GAAKDM4EHPGDCYP2A6
SCHEMBL15241748 0.76 ALDH1A1 (0.40) ALDH1A1GAAKDM4EHPGDCYP2A6
SCHEMBL29673104 0.76 MAPT (0.52) ALDH1A1GAAKDM4EHPGDCYP2A6
SCHEMBL15386452 0.76 ALDH1A1 (0.40) ALDH1A1GAAKDM4EHPGDCYP2A6
SCHEMBL389461 0.76 PARP1 (0.56) ALDH1A1GAAKDM4EHPGDMAOA
SCHEMBL163925 0.76 PARP10 (0.56) ALDH1A1GAAKDM4EHPGDCYP2A6
SCHEMBL163780 0.76 PARP1 (0.56) ALDH1A1GAAKDM4EHPGDCYP2A6
SCHEMBL2480404 0.76 PARP1 (0.56) ALDH1A1GAAKDM4EHPGDCYP2A6
SCHEMBL7899156 0.76 ALDH1A1 (0.43) ALDH1A1GAAKDM4EHPGDCYP2A6

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 ALDH1A1 355/4885GAA 4165/4885KDM4E 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.