SCHEMBL3196285

SCHEMBL3196285

CC(C)(C)OC(=O)COc1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.67
KCNH2 Q12809 4/20 0.38
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
PTPN1 P18031 3/20 0.33
PLA2G4B P0C869 1/20 0.33
SYK P43405 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NR1D1 P20393 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL3197866 1.00 CHRM1 (0.67) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL3465663 0.88 CHRM1 (0.70) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL4778569 0.86 CHRM1 (0.55) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL3197004 0.86 CHRM1 (0.55) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL3467844 0.82 CHRM1 (0.63) CHRM1KCNH2NPC1RAB9AKMT2A
SCHEMBL29483364 0.82 CHRM1 (0.72) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL14004016 0.81 CHRM1 (0.75) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL3466205 0.81 CHRM1 (0.59) CHRM1GPR119NR1D1
Pretomanid SCHEMBL14004006 0.80 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL2983011 0.80 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4

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 3 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
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

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 4053/4885KCNH2 3070/4885PTGS1 1717/4885

“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.