SCHEMBL3195797

SCHEMBL3195797

O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(F)c(Br)c1)C2

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.66
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
DRD4 P21917 6/20 0.33
KCNH2 Q12809 5/20 0.33
SIGMAR1 Q99720 4/20 0.33
TMEM97 Q5BJF2 2/20 0.32
DRD3 P35462 1/20 0.32
SOS1 Q07889 1/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
RIPK1 Q13546 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
SCHEMBL3195790 1.00 CHRM1 (0.66) CHRM1AXLMERTKDRD4KCNH2
SCHEMBL508465 0.92 CHRM1 (0.66) CHRM1DRD4KCNH2SIGMAR1TMEM97
SCHEMBL509156 0.86 CHRM1 (0.73) CHRM1DRD4KCNH2SIGMAR1SOS1
SCHEMBL3194998 0.86 CHRM1 (0.73) CHRM1DRD4KCNH2SIGMAR1SOS1
SCHEMBL3195654 0.84 CHRM1 (0.63) CHRM1KCNH2
SCHEMBL3195648 0.84 CHRM1 (0.63) CHRM1KCNH2
SCHEMBL3187186 0.83 CHRM1 (0.62) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL3187199 0.83 CHRM1 (0.62) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL3198490 0.83 CHRM1 (0.58) CHRM1AXLMERTKKCNH2
SCHEMBL508905 0.83 CHRM1 (0.58) CHRM1AXLMERTKKCNH2

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-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

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-20090281088-A1 BICYCLIC NITROIMIDAZOLE-SUBSTITUTED PHENYL OXAZOLIDINONES O60361, OXA1L, TBCD CHRM1 4053/4885AXL 2973/4885MERTK 2403/4885

“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.