SCHEMBL5542376

SCHEMBL5542376

[CH2]CCCc1csc2cc(Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.45
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 1/20 0.38
MAPT P10636 2/20 0.33
SLC6A4 P31645 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
BCKDK O14874 1/20 0.31
MCL1 Q07820 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL5548232 0.95 CYP2A6 (0.44) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL2092470 0.94 CYP2A6 (0.43) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL5543500 0.90 CYP2A6 (0.47) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL5542371 0.87 CYP2A6 (0.61) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL2089676 0.83 CYP2A6 (0.50) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL5548229 0.83 CYP2A6 (0.59) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL2092471 0.81 CYP2A6 (0.58) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL10424393 0.80 CYP2A6 (0.56) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL18069863 0.80 CYP2A6 (0.47) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL5543498 0.77 CYP2A6 (0.65) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2

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 9 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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 CYP2A6 1119/4885KEAP1 1764/4885NFE2L2 846/4885

“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.