SCHEMBL5546697

SCHEMBL5546697

CCc1ccccc1CNC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.54
ADH1A P07327 3/20 0.54
ADH7 P40394 3/20 0.54
ADH1C P00326 2/20 0.54
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL8763191 0.91 ADH1B (0.62) ADH1BADH1AADH7ADH1CTSHR
SCHEMBL30595834 0.91 ADH1B (0.62) ADH1BADH1AADH7ADH1CTSHR
SCHEMBL8763256 0.84 ADH1B (0.56) ADH1BADH1AADH7ADH1CTSHR
SCHEMBL6416351 0.83 GABRA1 (0.38) ADH1BADH1AADH7ADH1CGABRA1
SCHEMBL906143 0.81 TSHR (0.52) GABRA1GABRB2TSHRCYP2D6HIF1A
SCHEMBL13688534 0.81 ADH1B (0.47) ADH1BADH1AADH7ADH1CGABRA1
SCHEMBL5544165 0.81 CHRM2 (0.53) ADH1BADH1AADH7ADH1CKDM4E
SCHEMBL18567145 0.81 ADH1B (0.52) ADH1BADH1AADH7ADH1CTSHR
SCHEMBL10607449 0.81 GABRA1 (0.41) GABRA1GABRB2TSHRCYP2D6HIF1A
SCHEMBL22144926 0.80 ADH1B (0.47) ADH1BADH1AADH7ADH1CGABRA1

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 ADH1B 281/4885ADH1A 494/4885ADH7 303/4885

“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.