SCHEMBL5546722

SCHEMBL5546722

[CH2]N1CC=C(c2ccc(OC)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HSD11B1 P28845 2/20 0.44
QDPR P09417 3/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
NAMPT P43490 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5542022 0.83 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL5546728 0.81 QDPR (0.64) SIGMAR1KMT2AQDPRALDH1A1
Hydrochloric Acid SCHEMBL31556090 0.79 QDPR (0.62) SIGMAR1KMT2AQDPRALDH1A1
SCHEMBL16902743 0.79 SIGMAR1 (0.47) SIGMAR1MEN1KMT2AHSD11B1QDPR
SCHEMBL5544864 0.79 L3MBTL1 (0.39) QDPRALDH1A1
SCHEMBL5542167 0.79 SIGMAR1 (0.56) SIGMAR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL5536925 0.79 SLC6A4 (0.44) QDPRALDH1A1KDM4ESMN1; SMN2
SCHEMBL5539408 0.78 SIGMAR1 (0.62) SIGMAR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL8322832 0.77 LMNA (0.48) SIGMAR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL3986140 0.76 ALDH1A1 (0.54) SIGMAR1MEN1KMT2AALDH1A1KDM4E

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 SIGMAR1 234/4885MEN1 3295/4885KMT2A 4267/4885

“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.