SCHEMBL3198529

SCHEMBL3198529

O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(CCl)c1)C2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.63
TSHR P16473 1/20 0.36
KCNH2 Q12809 4/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TMEM97 Q5BJF2 2/20 0.31
NAAA Q02083 1/20 0.30
TACR1 P25103 1/20 0.30
KCNN3 Q9UGI6 1/20 0.30
DRD4 P21917 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL3198416 1.00 CHRM1 (0.63) CHRM1TSHRKCNH2KDM4EALDH1A1
SCHEMBL3187077 0.90 CHRM1 (0.73) CHRM1KCNH2
SCHEMBL3187069 0.90 CHRM1 (0.73) CHRM1KCNH2
SCHEMBL3195648 0.88 CHRM1 (0.63) CHRM1KCNH2KMT2A
SCHEMBL3195654 0.88 CHRM1 (0.63) CHRM1KCNH2KMT2A
SCHEMBL29808816 0.87 CHRM1 (0.73) CHRM1KCNH2ALDH1A1KMT2ANAAA
SCHEMBL14004011 0.87 CHRM1 (0.73) CHRM1KCNH2ALDH1A1KMT2ANAAA
SCHEMBL29861958 0.85 CHRM1 (0.64) CHRM1NAAA
SCHEMBL3466011 0.84 CHRM1 (0.56) CHRM1KDM4EALDH1A1KMT2ATMEM97
SCHEMBL508705 0.81 CHRM1 (0.73) CHRM1KCNH2

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 4053/4885TSHR 2831/4885KCNH2 3070/4885

“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.