SCHEMBL5540766

SCHEMBL5540766

CC(O)(CN1CCN(N=Cc2cc3cc(Cl)ccc3o2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 8/20 0.35
MAPK1 P28482 5/20 0.35
GAA P10253 3/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HRH4 Q9H3N8 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL5540763 1.00 ALDH1A1 (0.37) ALDH1A1TDP1MAPTMAPK1GAA
SCHEMBL5540758 1.00 ALDH1A1 (0.37) ALDH1A1TDP1MAPTMAPK1GAA
SCHEMBL5544660 0.91 MAPT (0.33) ALDH1A1TDP1MAPTMAPK1GAA
SCHEMBL5544661 0.91 MAPT (0.33) ALDH1A1TDP1MAPTMAPK1GAA
SCHEMBL5544664 0.91 MAPT (0.33) ALDH1A1TDP1MAPTMAPK1GAA
SCHEMBL5543337 0.78 MAPT (0.45) ALDH1A1TDP1MAPTMAPK1GAA
SCHEMBL5543344 0.78 MAPT (0.45) ALDH1A1TDP1MAPTMAPK1GAA
SCHEMBL5543334 0.78 MAPT (0.45) ALDH1A1TDP1MAPTMAPK1GAA
SCHEMBL5541743 0.76 KCNH2 (0.39) MAPTMAPK1GAAL3MBTL1RAB9A
SCHEMBL5541725 0.76 KCNH2 (0.39) MAPTMAPK1GAAL3MBTL1RAB9A

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 4666/4885MAPT 4117/4885

“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.