SCHEMBL5545579

SCHEMBL5545579

[CH2]c1cccc(C(OC)(OC)c2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
CES1 P23141 1/20 0.34
KCNN4 O15554 3/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KIF11 P52732 3/20 0.30
KCNH2 Q12809 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ATM Q13315 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL5544706 0.82 MAPK1 (0.38) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL240092 0.81 MAPK1 (0.48) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL5539040 0.77 ATM (0.38) ALDH1A1MAPTKMT2AKIF11CYP2C9
SCHEMBL5546462 0.73 HTT (0.35) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL2790917 0.72 MAPK1 (0.44) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL8087742 0.72 PARP1 (0.53) CES1MAPTKMT2AKIF11KCNH2
SCHEMBL3099093 0.71 KCNN4 (0.33) MAPK1KCNN4ALDH1A1KIF11KCNH2
SCHEMBL5547694 0.71 MAPK1 (0.35) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL5732820 0.70 RAB9A (0.56) MAPK1CES1ALDH1A1CYP3A4CYP2D6
SCHEMBL349313 0.70 HDAC8 (0.47) ALDH1A1ALOX15MAPTKMT2AKIF11

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 MAPK1 1392/4885CES1 2795/4885KCNN4 3997/4885

“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.