SCHEMBL3202807

SCHEMBL3202807

CC(O)(CN1CCCN(c2ncc(Br)cn2)CC1)Cn1cc([N+](=O)[O-])nc1Br

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TIPARP Q7Z3E1 2/20 0.31
HTR7 P34969 1/20 0.31
CASP1 P29466 1/20 0.31
CASP4 P49662 1/20 0.31
CASP5 P51878 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
PANK3 Q9H999 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
SCHEMBL3193461 0.88 PPARG (0.39) ALDH1A1LMNAMEN1POLBKMT2A
SCHEMBL3209335 0.87 HTR1A (0.34) HTR1AALDH1A1LMNATIPARPMEN1
SCHEMBL3208175 0.81 MLYCD (0.36) ALDH1A1LMNA
SCHEMBL4826122 0.79 LMNA (0.39) ALDH1A1LMNAPOLBKMT2A
SCHEMBL4826118 0.79 LMNA (0.39) ALDH1A1LMNAPOLBKMT2A
SCHEMBL3465919 0.78 ALDH1A1 (0.36) ALDH1A1LMNAMEN1POLBKMT2A
SCHEMBL3465821 0.76 LMNA (0.43) ALDH1A1LMNAPOLB
SCHEMBL18822865 0.73 ALDH1A1 (0.43) ALDH1A1LMNAPOLBKMT2A
SCHEMBL3208700 0.69 MAOB (0.42) LMNA
SCHEMBL5543740 0.69 PTGS1 (0.45) MEN1KMT2A

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 HTR1A 4434/4885ALDH1A1 2303/4885LMNA 2867/4885

“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.