SCHEMBL5536508

SCHEMBL5536508

O=COCCCCCCc1coc2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNH2 Q12809 1/20 0.37
MTNR1A P48039 10/20 0.37
PDE10A Q9Y233 2/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
MTNR1B P49286 3/20 0.35
NQO2 P16083 2/20 0.34
KDM4E B2RXH2 1/20 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
SCHEMBL5542085 0.90 PTPN1 (0.35) PTPN1ALDH1A1HSD17B10
SCHEMBL5542384 0.89 PTPN1 (0.48) PTPN1ALDH1A1HSD17B10KCNH2MTNR1A
SCHEMBL5544391 0.85 PTPN1 (0.44) PTPN1MTNR1APDE10AHTR1AHTR1D
SCHEMBL5542083 0.82 PTPN1 (0.38) PTPN1ALDH1A1HSD17B10KCNH2MTNR1A
SCHEMBL5545744 0.79 PTPN1 (0.38) PTPN1ALDH1A1HSD17B10KCNH2
SCHEMBL2092797 0.78 PTPN1 (0.40) PTPN1ALDH1A1HSD17B10KCNH2MTNR1A
SCHEMBL5541631 0.77 PTPN1 (0.33) PTPN1
SCHEMBL5543456 0.77 CYP11B1 (0.41) PTPN1HTR1A
SCHEMBL5547275 0.74
SCHEMBL5544001 0.74 PSMB5 (0.36)

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 PTPN1 1427/4885ALDH1A1 355/4885HSD17B10 467/4885

“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.