SCHEMBL3202706

SCHEMBL3202706

O=C(O)CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.58
KCNH2 Q12809 4/20 0.33
MITF O75030 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
AHR P35869 1/20 0.30
RAB9A P51151 1/20 0.30
CASP6 P55212 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3202010 1.00 CHRM1 (0.58) CHRM1KCNH2MITFPOLBALDH1A1
SCHEMBL3194265 0.86 CHRM1 (0.56) CHRM1KCNH2
SCHEMBL3194259 0.86 CHRM1 (0.56) CHRM1KCNH2
SCHEMBL3465663 0.85 CHRM1 (0.70) CHRM1KCNH2ALDH1A1PTGS1SLC6A2
SCHEMBL4778569 0.85 CHRM1 (0.55) CHRM1KCNH2MITFPOLBALDH1A1
SCHEMBL3197004 0.85 CHRM1 (0.55) CHRM1KCNH2MITFPOLBALDH1A1
SCHEMBL10078251 0.84 CHRM1 (0.61) CHRM1KCNH2MITFPOLBALDH1A1
SCHEMBL3466012 0.84 CHRM1 (0.52) CHRM1KCNH2ALDH1A1LMNAMEN1
SCHEMBL16556791 0.83 CHRM1 (0.52) CHRM1KCNH2MITFPOLBALDH1A1
SCHEMBL4840823 0.82 CHRM1 (0.69) CHRM1KCNH2MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254892-B1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-04-23 EP disclosed
EP-2254892-A1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES Global Alliance For Tb Drug Development (US) 2010-12-01 EP disclosed
US-7666864-B2 Bicyclic nitroimidazole-substituted phenyl oxazolidinones GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2010-02-23 US disclosed
US-20090281088-A1 BICYCLIC NITROIMIDAZOLE-SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2009-11-12 US disclosed
WO-2009120789-A1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2009-10-01 WO disclosed
US-20080275035-A1 Nitroimidazole Compounds JIRICEK JAN 2008-11-06 US disclosed
US-20080275035-A1 Nitroimidazole Compounds JIRICEK JAN 2008-11-06 US disclosed
US-20080275035-A1 Nitroimidazole Compounds JIRICEK JAN 2008-11-06 US disclosed
EP-1984369-A2 NITROIMIDAZOLE COMPOUNDS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2007075872-A2 NITROIMIDAZOLE COMPOUNDS NOVARTIS AG (CH) 2007-07-05 WO disclosed
WO-2007075872-A2 NITROIMIDAZOLE COMPOUNDS NOVARTIS AG (CH) 2007-07-05 WO 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 (2 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-20090281088-A1 BICYCLIC NITROIMIDAZOLE-SUBSTITUTED PHENYL OXAZOLIDINONES O60361, OXA1L, TBCD CHRM1 4053/4885KCNH2 3070/4885MITF 1066/4885
US-20080275035-A1 Nitroimidazole Compounds NQO2, NQO1, MT-ND2 CHRM1 1746/4885KCNH2 1884/4885MITF 1474/4885

“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.