SCHEMBL5542545

SCHEMBL5542545

COc1ccc(OC)c(CN[C]=O)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
IDO1 P14902 2/20 0.51
ADRA1A P35348 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
HIF1A Q16665 1/20 0.49
HTR2A P28223 3/20 0.49
APLNR P35414 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL4257416 0.87 APLNR (0.67) HTR2AAPLNRMEN1KMT2AHTR2C
SCHEMBL1254174 0.79 HTR2A (0.65) HSD17B10IDO1ADRA1ATAAR1HTR2A
SCHEMBL513763 0.77 ALDH1A1 (0.58) MEN1KMT2APOLBMAPT
SCHEMBL2119996 0.77 ADRA1A (0.61) HSD17B10IDO1ADRA1ATAAR1HTR2A
SCHEMBL5542552 0.77 APLNR (0.53) HSD17B10IDO1ADRA1ATAAR1HIF1A
SCHEMBL805159 0.76 HSD17B10 (0.65) HSD17B10IDO1ADRA1ATAAR1HTR2A
SCHEMBL14299916 0.76 APLNR (0.61) HSD17B10IDO1ADRA1ATAAR1HTR2A
SCHEMBL30849698 0.75 MTNR1A (0.69) HSD17B10HIF1AMTNR1AMTNR1B
SCHEMBL21225026 0.75 APLNR (0.56) HSD17B10IDO1ADRA1ATAAR1HTR2A
SCHEMBL14271357 0.75 IDO1 (0.57) HSD17B10IDO1ADRA1ATAAR1HTR2A

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 6 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

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 HSD17B10 467/4885IDO1 3181/4885ADRA1A 326/4885

“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.