SCHEMBL5544841

SCHEMBL5544841

COc1ccc(C2=CCN(C(=O)OCC(C)(O)Cn3cc([N+](=O)[O-])nc3Cl)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.35
GRM5 P41594 3/20 0.35
GPR119 Q8TDV5 2/20 0.35
SUV39H2 Q9H5I1 2/20 0.34
NAMPT P43490 2/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TNK2 Q07912 1/20 0.33
ENPP2 Q13822 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
QDPR P09417 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5544836 1.00 GRM1 (0.35) GRM1GRM5GPR119SUV39H2NAMPT
SCHEMBL5541962 0.93 ENPP2 (0.38) GRM1GRM5NAMPTPPARGPPARA
SCHEMBL5541952 0.93 ENPP2 (0.38) GRM1GRM5NAMPTPPARGPPARA
SCHEMBL5537389 0.92 TRPV1 (0.40) GPR119PPARGPPARATRPV1
SCHEMBL5537384 0.92 TRPV1 (0.40) GPR119PPARGPPARATRPV1
SCHEMBL5547380 0.91 GRM5 (0.41) GRM1GRM5ENPP2TLR7ALDH1A1
SCHEMBL5547376 0.91 GRM5 (0.41) GRM1GRM5ENPP2TLR7ALDH1A1
SCHEMBL5542342 0.91 SIGMAR1 (0.33) GRM1GRM5GPR119SUV39H2NAMPT
SCHEMBL5542334 0.91 SIGMAR1 (0.33) GRM1GRM5GPR119SUV39H2NAMPT
SCHEMBL5536356 0.90 TRPV1 (0.38) TRPV1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRM1 169/4885GRM5 897/4885GPR119 658/4885

“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.