SCHEMBL3196355

SCHEMBL3196355

COc1ccc(COc2nc(Cl)ncc2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
APP P05067 5/20 0.43
PIN1 Q13526 1/20 0.42
MAOB P27338 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PDE2A O00408 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL31514820 1.00 CNR1 (0.43) CNR1CNR2APPPIN1MAOB
SCHEMBL14616496 0.84 PDE2A (0.46) CNR1CNR2APPMAOBSMN1; SMN2
SCHEMBL9987222 0.84 CNR1 (0.44) CNR1CNR2APPPIN1MAOB
SCHEMBL22323930 0.83 APP (0.50) CNR1CNR2APPPIN1MAOB
SCHEMBL846643 0.83 POLB (0.47) CNR1CNR2APPPIN1MAOB
SCHEMBL12423709 0.82 PIN1 (0.59) CNR1CNR2PIN1MAOBALDH1A1
SCHEMBL30683113 0.82 PIN1 (0.59) CNR1CNR2PIN1MAOBALDH1A1
SCHEMBL5258785 0.82 PIN1 (0.45) PIN1SMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL9987933 0.82 PIN1 (0.44) CNR1CNR2APPPIN1MAOB
SCHEMBL9987333 0.82 MAOB (0.44) CNR1CNR2APPPIN1MAOB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
WO-2018213777-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-22 WO disclosed
EP-3251674-A2 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES BioCryst Pharmaceuticals, Inc. (US) 2017-12-06 EP disclosed
US-20170267681-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES MIDCAP FINANCIAL TRUST, AS AGENT 2017-09-21 US disclosed
US-20150291596-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES BIOCRYST PHARMACEUTICALS, INC. 2015-10-15 US disclosed
WO-2014078778-A2 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES BIOCRYST PHARMACEUTICALS, INC. (US) 2014-05-22 WO disclosed
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 (4 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 CNR1 3817/4885CNR2 4296/4885APP 4428/4885
US-20150291596-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES RNGTT, DUT, RNMT CNR1 4187/4885CNR2 4733/4885APP 4874/4885
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE KDM5A, KDM5B, KDM5C CNR1 2906/4885CNR2 2908/4885APP 4504/4885
US-20170267681-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES RNGTT, DUT, RNMT CNR1 4187/4885CNR2 4733/4885APP 4874/4885

“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.