SCHEMBL3198490

SCHEMBL3198490

O=[N+]([O-])c1cn2c(n1)OCC(OCc1ccc(Br)cc1F)C2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.58
NAAA Q02083 2/20 0.40
HPD P32754 2/20 0.35
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
KCNH2 Q12809 4/20 0.33
AMY1A P0DUB6 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL508905 1.00 CHRM1 (0.58) CHRM1NAAAHPDAXLMERTK
SCHEMBL29818078 0.90 CHRM1 (0.60) CHRM1NAAAHPDKCNH2
SCHEMBL509156 0.84 CHRM1 (0.73) CHRM1HPDKCNH2MEN1KMT2A
SCHEMBL3194998 0.84 CHRM1 (0.73) CHRM1HPDKCNH2MEN1KMT2A
SCHEMBL508465 0.83 CHRM1 (0.66) CHRM1KCNH2
SCHEMBL3195790 0.83 CHRM1 (0.66) CHRM1AXLMERTKKCNH2
SCHEMBL3195797 0.83 CHRM1 (0.66) CHRM1AXLMERTKKCNH2
SCHEMBL3195654 0.82 CHRM1 (0.63) CHRM1KCNH2MEN1KMT2A
SCHEMBL3195648 0.82 CHRM1 (0.63) CHRM1KCNH2MEN1KMT2A
SCHEMBL508154 0.82 CHRM1 (0.52) 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 4053/4885NAAA 2408/4885HPD 444/4885

“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.