SCHEMBL5546079

SCHEMBL5546079

[CH2]CCCc1csc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.58
IDO1 P14902 1/20 0.47
CHRNA7 P36544 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MTNR1A P48039 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL5540612 0.95 CYP2A6 (0.56) CYP2A6IDO1CHRNA7SMN1; SMN2CA1
SCHEMBL5536097 0.93 CYP2A6 (0.55) CYP2A6IDO1CHRNA7SMN1; SMN2CA1
SCHEMBL5546289 0.89 CYP2A6 (0.62) CYP2A6IDO1CHRNA7SMN1; SMN2CA1
SCHEMBL79170 0.81 CYP2A6 (0.69) CYP2A6IDO1CHRNA7SMN1; SMN2CA1
SCHEMBL81236 0.81 CYP2A6 (0.58) CYP2A6IDO1CHRNA7SMN1; SMN2CA1
SCHEMBL3789614 0.81 CYP2A6 (0.58) CYP2A6IDO1CHRNA7SMN1; SMN2CA1
SCHEMBL5235492 0.81 CYP2A6 (0.67) CYP2A6IDO1CHRNA7SMN1; SMN2CA1
SCHEMBL1567143 0.80 CYP2A6 (0.67) CYP2A6IDO1CHRNA7SMN1; SMN2CA1
SCHEMBL7434783 0.80 CYP2A6 (0.67) CYP2A6IDO1CHRNA7SMN1; SMN2CA1
SCHEMBL368354 0.80 CYP2A6 (0.56) CYP2A6IDO1CHRNA7SMN1; SMN2CA1

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 10 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
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 1119/4885IDO1 3181/4885CHRNA7 997/4885

“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.