SCHEMBL5539718

SCHEMBL5539718

O=C(OCc1ccc(Cl)cc1)N1CCN(CCN2CCC3(CC2)Cn2cc([N+](=O)[O-])nc2O3)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.40
ATXN2 Q99700 3/20 0.40
KCNH2 Q12809 6/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA1 P00915 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
SCHEMBL5546090 0.90 CA1 (0.38) ENPP2ATXN2KCNH2KMT2AHRH2
SCHEMBL5543065 0.90 ENPP2 (0.42) ENPP2ATXN2KCNH2CA1CA2
SCHEMBL5541283 0.88 KCNH2 (0.53) ENPP2ATXN2KCNH2ALDH1A1LMNA
SCHEMBL6425174 0.84 MEN1 (0.44) ENPP2ATXN2KCNH2ALDH1A1KMT2A
SCHEMBL5542691 0.82 ENPP2 (0.47) ENPP2ATXN2KCNH2CHRM1
SCHEMBL5542799 0.81 ENPP2 (0.42) ENPP2ATXN2KCNH2CHRM1CACNA1C
SCHEMBL5542853 0.81 ENPP2 (0.44) ENPP2ATXN2KCNH2CHRM1
SCHEMBL5537871 0.81 KCNH2 (0.42) KCNH2ALDH1A1LMNAMAPTCHRM1
SCHEMBL5545671 0.80 KCNH2 (0.51) ENPP2ATXN2KCNH2HRH2HRH1
SCHEMBL5536901 0.79 KCNH2 (0.50) KCNH2DRD2DRD4HTTALDH1A1

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 2915/4885ATXN2 3603/4885KCNH2 3503/4885

“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.