SCHEMBL5535186

SCHEMBL5535186

O=[N+]([O-])c1cn(C[C@@H](O)CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.48
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
ENPP2 Q13822 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNH2 Q12809 3/20 0.41
HTR1A P08908 1/20 0.40
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
LMNA P02545 1/20 0.39
IGF1R P08069 1/20 0.39
DEGS1 O15121 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
SERPINE1 P05121 1/20 0.38
CETP P11597 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5535190 1.00 CACNA1G (0.48) CACNA1GTDP1MAPTHTTENPP2
SCHEMBL5543095 0.89 MAPT (0.47) CACNA1GTDP1MAPTHTTALDH1A1
SCHEMBL5543102 0.89 MAPT (0.47) CACNA1GTDP1MAPTHTTALDH1A1
SCHEMBL5543208 0.85 TDP1 (0.46) TDP1MAPTHTTALDH1A1KCNH2
SCHEMBL5543200 0.85 TDP1 (0.46) TDP1MAPTHTTALDH1A1KCNH2
SCHEMBL5542825 0.82 ENPP2 (0.41) ENPP2HTR1ALMNADEGS1CA1
SCHEMBL5539071 0.78 ENPP2 (0.41) ENPP2LMNADEGS1CA2SERPINE1
SCHEMBL5542335 0.77 LMNA (0.40) TDP1ALDH1A1LMNA
SCHEMBL5535923 0.77 LMNA (0.40) TDP1ALDH1A1LMNA
SCHEMBL5535927 0.77 LMNA (0.40) TDP1ALDH1A1LMNA

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 CACNA1G 3600/4885TDP1 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.