SCHEMBL5541962

SCHEMBL5541962

CC(O)(COC(=O)N1CC=C(c2ccc(Cl)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 2/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
KIT P10721 6/20 0.36
GRM1 Q13255 4/20 0.34
GRM5 P41594 3/20 0.34
CCR1 P32246 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL5541952 1.00 ENPP2 (0.38) ENPP2KMT2ACNR1PPARGPPARA
SCHEMBL5542334 0.94 SIGMAR1 (0.33) ENPP2KMT2AGRM1GRM5NAMPT
SCHEMBL5547376 0.94 GRM5 (0.41) ENPP2KITGRM1GRM5MAPT
SCHEMBL5547380 0.94 GRM5 (0.41) ENPP2KITGRM1GRM5MAPT
SCHEMBL5542342 0.94 SIGMAR1 (0.33) ENPP2KMT2AGRM1GRM5NAMPT
SCHEMBL5544836 0.93 GRM1 (0.35) ENPP2PPARGPPARAGRM1GRM5
SCHEMBL5544841 0.93 GRM1 (0.35) ENPP2PPARGPPARAGRM1GRM5
SCHEMBL5536356 0.92 TRPV1 (0.38)
SCHEMBL5536346 0.92 TRPV1 (0.38)
SCHEMBL5537389 0.91 TRPV1 (0.40) PPARGPPARA

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 ENPP2 2915/4885KMT2A 4267/4885CNR1 857/4885

“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.