SCHEMBL5543314

SCHEMBL5543314

O=C(CN1CCN(c2nc3ccccc3o2)CC1)N1CCC2(CC1)Cn1cc([N+](=O)[O-])nc1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 6/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
NAAA Q02083 1/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
TSHR P16473 3/20 0.36
SORD Q00796 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
MAPT P10636 1/20 0.35
KCNH2 Q12809 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL5543978 0.81 LMNA (0.40) KMT2ALMNATSHRALDH1A1MAPT
SCHEMBL5539501 0.79 KCNH2 (0.47) KMT2AGAALMNANAAAHTT
SCHEMBL5546158 0.78 KCNH2 (0.44) KMT2AGAALMNANAAAHTT
SCHEMBL6425348 0.77 ALDH1A1 (0.48) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL5539985 0.76 KCNH2 (0.43) KMT2AGAANAAAALDH1A1KCNH2
SCHEMBL5540019 0.76 CHRM2 (0.42) KMT2ALMNAALDH1A1MAPTKCNH2
SCHEMBL5543648 0.74 KCNH2 (0.40) KMT2AGAALMNAALDH1A1KCNH2
SCHEMBL5538545 0.74 CA1 (0.41) KMT2ALMNAKCNH2POLB
SCHEMBL5542973 0.74 L3MBTL1 (0.43) ALDH1A1KCNH2KDM4E
SCHEMBL5540672 0.73 KCNH2 (0.41) KMT2ALMNAALDH1A1MAPTKCNH2

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 4267/4885GAA 4165/4885LMNA 4152/4885

“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.