SCHEMBL5545115

SCHEMBL5545115

[CH2]c1scc2ccc(OC)c(OC)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 7/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 5/20 0.39
CYP3A4 P08684 2/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
GAA P10253 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL5545121 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL5635505 0.68 HPGD (0.45) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL5541705 0.67 HPGD (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL30701949 0.66 CA9 (0.50) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL3674074 0.66 CA9 (0.50) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL8561465 0.66 SMN1; SMN2 (0.47) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL5248756 0.65 MAPT (0.41) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL5545117 0.64 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL10926394 0.64 IDO1 (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL6013587 0.64 TDO2 (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPK1

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 355/4885KDM4E 4854/4885HPGD 3159/4885

“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.