SCHEMBL5542592

SCHEMBL5542592

O=COCCCCCCc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 5/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 4/20 0.44
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 6/20 0.43
POLB P06746 1/20 0.42
GPR35 Q9HC97 4/20 0.37
KDM4E B2RXH2 1/20 0.36
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL5542585 0.79 KMT2A (0.44) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL9687560 0.78 ALDH1A1 (0.50) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL96621 0.78 ALDH1A1 (0.42) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL5544885 0.77 ALDH1A1 (0.54) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL9687565 0.76 ALDH1A1 (0.49) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL5542243 0.76 KCNH2 (0.49) TSHR
SCHEMBL5535033 0.76 KCNH2 (0.49) TSHR
SCHEMBL9318057 0.75 ALDH1A1 (0.59) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL9027341 0.74 ALDH1A1 (0.54) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL5535046 0.74 TSHR (0.50) TSHR

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 KMT2A 4267/4885ALDH1A1 355/4885MEN1 3295/4885

“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.