SCHEMBL5543559

SCHEMBL5543559

[CH2]c1cccc(Oc2ccccc2)c1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
DPP4 P27487 1/20 0.42
HRH1 P35367 1/20 0.40
CTNNB1 P35222 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
RIPK1 Q13546 1/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 2/20 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
SCHEMBL9780873 0.84 LTA4H (0.55) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL9273369 0.82 TSHR (0.52) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL95189 0.82 LTA4H (0.52) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL27279963 0.80 LTA4H (0.50) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL28416915 0.80 TSHR (0.50) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL11816942 0.80 LTA4H (0.57) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL9275082 0.80 TSHR (0.50) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL10756887 0.78 MAOB (0.48) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL8830000 0.78 LTA4H (0.52) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL10565943 0.78 LTA4H (0.42) TSHRLTA4HALDH1A1HPGDKMT2A

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 7 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
US-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US 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 TSHR 319/4885LTA4H 3452/4885ALDH1A1 355/4885

“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.