SCHEMBL5542939

SCHEMBL5542939

O=[C]Nc1ccccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
EPHX2 P34913 1/20 0.49
HPGD P15428 1/20 0.49
MAPK10 P53779 1/20 0.49
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
POLB P06746 2/20 0.48
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
SCN9A Q15858 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL9424371 0.83 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL5543466 0.80 MAPK1 (0.51) KMT2AMEN1TSHRMAPK10CASP3
SCHEMBL5543180 0.80 ADRB1 (0.51) ALDH1A1CYP1A2CYP2C19TSHRHPGD
SCHEMBL8342797 0.77 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL6228918 0.77 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL11666677 0.77 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL11666671 0.77 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL5542946 0.77 LMNA (0.55) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL20910885 0.77 ALDH1A1 (0.68) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
Hydrochloric Acid SCHEMBL5339525 0.76 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A

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 ALDH1A1 355/4885CYP1A2 659/4885CYP3A4 1683/4885

“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.