SCHEMBL5539675

SCHEMBL5539675

O=COCc1csc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.55
SMN1; SMN2 Q16637 5/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TAAR1 Q96RJ0 1/20 0.44
CHRNA7 P36544 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL6003500 0.83 CYP2A6 (0.55) CYP2A6SMN1; SMN2CA1CA2TAAR1
SCHEMBL5319440 0.80 CYP2A6 (0.64) CYP2A6SMN1; SMN2CA1CA2TAAR1
SCHEMBL27802823 0.79 CYP2A6 (0.35) CYP2A6SMN1; SMN2TAAR1POLBALDH1A1
SCHEMBL5541321 0.78 CYP2A6 (0.43) CYP2A6SMN1; SMN2CA2RXFP1
SCHEMBL2088814 0.77 CYP2A6 (0.60) CYP2A6SMN1; SMN2CA1CA2TAAR1
SCHEMBL2088813 0.77 CYP2A6 (0.60) CYP2A6SMN1; SMN2CA1CA2TAAR1
SCHEMBL1445363 0.77 CYP2A6 (0.60) CYP2A6SMN1; SMN2CA1CA2TAAR1
SCHEMBL5539672 0.76 CYP2A6 (0.55) CYP2A6SMN1; SMN2CA1CA2TAAR1
SCHEMBL27823370 0.74 ERN1 (0.34) CYP2A6ALDH1A1
SCHEMBL14439426 0.74 KDM4E (0.51) CYP2A6CA2HDAC6TP53

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
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-101977505-A Farnesoid x receptor agonists SMITHKLINE BEECHAM CORP 2011-02-16 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
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 1119/4885SMN1; SMN2 3985/4885CA1 3493/4885

“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.