SCHEMBL5537145

SCHEMBL5537145

O=C1[N]CCN1Cc1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
MAOB P27338 2/20 0.44
CYP11B1 P15538 1/20 0.43
ADRA2C P18825 1/20 0.43
CYP11B2 P19099 1/20 0.43
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
CLPP Q16740 1/20 0.42
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
KCNN4 O15554 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
KDM4E B2RXH2 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41

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
SCHEMBL5539504 0.82 MAPT (0.60) TDP1ADORA2AMAOBCYP11B1CYP11B2
SCHEMBL5548109 0.82 ALDH1A1 (0.50) SMN1; SMN2CYP11B1CYP11B2CLPPIDO1
SCHEMBL9704692 0.82 BCL2L1 (0.40) TDP1BRD4KDM4EKMT2AMEN1
SCHEMBL5540694 0.81 ALDH1A1 (0.42) SMN1; SMN2CYP11B1CYP11B2CLPPKDM4E
SCHEMBL5251526 0.80 DDB1 (0.49) BRD4KMT2AMEN1HPGD
SCHEMBL5545709 0.78 CMA1 (0.56) KDM4EKMT2AMEN1
SCHEMBL3033992 0.75 POLB (0.68) SMN1; SMN2TDP1ADORA2AADORA1MAOB
SCHEMBL5535754 0.74 L3MBTL1 (0.42) ADORA2AADORA1MAOBKMT2AMEN1
SCHEMBL9704338 0.74 ERCC1 (0.56) TDP1KDM4ECA2HPGD
SCHEMBL3388088 0.74 L3MBTL1 (0.58) SMN1; SMN2TDP1ADORA2AADORA1MAOB

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 SMN1; SMN2 3985/4885TDP1 4666/4885ADORA2A 1954/4885

“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.