SCHEMBL5544882

SCHEMBL5544882

O=[C]OCCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP1A2 P05177 2/20 0.50
GPR35 Q9HC97 2/20 0.42
MAPK1 P28482 2/20 0.42
HIF1A Q16665 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
GAA P10253 1/20 0.39
ALOX5 P09917 1/20 0.39
HSPB1 P04792 3/20 0.38

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
SCHEMBL1269012 0.91 CYP1A2 (0.53) ALDH1A1TDP1CYP1A2GPR35MAPK1
SCHEMBL95713 0.83 CYP1A2 (0.54) ALDH1A1TDP1CYP1A2GPR35MAPK1
SCHEMBL10890268 0.82 CYP1A2 (0.64) ALDH1A1TDP1CYP1A2GPR35MAPK1
SCHEMBL10891708 0.82 CYP1A2 (0.64) ALDH1A1TDP1CYP1A2GPR35MAPK1
SCHEMBL20590968 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1HPGDTSHR
SCHEMBL5544885 0.79 ALDH1A1 (0.54) ALDH1A1TDP1CYP1A2GPR35MAPK1
SCHEMBL27961047 0.79 CYP1A2 (0.68) ALDH1A1TDP1CYP1A2GPR35MAPK1
SCHEMBL5546765 0.78 TSHR (0.51) TSHR
SCHEMBL4942315 0.78 CYP1A2 (0.58) ALDH1A1TDP1CYP1A2GPR35MAPK1
SCHEMBL5542585 0.77 KMT2A (0.44) ALDH1A1TDP1CYP1A2GPR35MAPK1

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 355/4885TDP1 4666/4885CYP1A2 659/4885

“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.