SCHEMBL5534528

SCHEMBL5534528

O=[C]OCc1cc2cc(I)ccc2o1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.38
APP P05067 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL5539104 0.88 AGXT (0.38) AGXTAPPHDAC6LOXL2
SCHEMBL5539159 0.81 CYP2A6 (0.45) AGXTLMNA
SCHEMBL5540307 0.81 HDAC3 (0.43) AGXTAPPHDAC6HDAC3HDAC1
SCHEMBL5541856 0.79 AGXT (0.62) AGXTLOXL2
SCHEMBL3623553 0.74 APP (0.47) AGXTAPPHDAC6HDAC3HDAC1
SCHEMBL4539842 0.74 AGXT (0.37) AGXTAPPHDAC6HDAC3HDAC1
SCHEMBL4521699 0.73 HDAC6 (0.42) AGXTAPPHDAC6HDAC3HDAC1
SCHEMBL3617999 0.73 APP (0.38) AGXTAPPF2F10LOXL2
SCHEMBL5540597 0.72 AGXT (0.38) AGXTAPPHDAC6HDAC3HDAC1
SCHEMBL5547841 0.72 AGXT (0.38) AGXTAPPHDAC6HDAC3HDAC1

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 AGXT 2967/4885APP 4262/4885HDAC6 941/4885

“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.