SCHEMBL5547142

SCHEMBL5547142

CC(C)Oc1ccccc1CNC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH7 P40394 1/20 0.43
TACR1 P25103 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ACHE P22303 1/20 0.41
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL350875 0.81 ALDH1A1 (0.58) ALDH1A1ACHETSHRSMN1; SMN2NPSR1
SCHEMBL5546612 0.81 TACR1 (0.43) TAS1R3TAS1R1TACR1ALDH1A1ACHE
SCHEMBL417252 0.79 SLC6A4 (0.51) TAS1R3TAS1R1TACR1ALDH1A1ACHE
SCHEMBL22957875 0.79 TAS1R3 (0.46) TAS1R3TAS1R1TACR1ALDH1A1ACHE
SCHEMBL2399873 0.78 ALDH1A1 (0.58) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL5072948 0.77 ADH1B (0.47) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL3361954 0.77 IRAK4 (0.43) TAS1R3TAS1R1ALDH1A1ACHEHPGD
SCHEMBL7980703 0.77 ALDH1A1 (0.62) TAS1R3TAS1R1TACR1ALDH1A1ACHE
SCHEMBL12000676 0.77 TACR1 (0.48) TAS1R3TAS1R1TACR1ALDH1A1ACHE
SCHEMBL5547134 0.77 TAS1R3 (0.45) TAS1R3TAS1R1TACR1ALDH1A1ACHE

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 TAS1R3 292/4885TAS1R1 568/4885ADH1B 281/4885

“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.