SCHEMBL2113586

SCHEMBL2113586

O=[N+]([O-])c1cnc2cc(Br)ccc2c1NCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
LRRK2 Q5S007 1/20 0.40
KCNH2 Q12809 1/20 0.40
ATM Q13315 1/20 0.40
ATR Q13535 1/20 0.40
PRKCQ Q04759 16/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3870003 0.90 ALDH1A1 (0.41) PTGESKCNH2ATMATRPRKCQ
SCHEMBL2744399 0.84 KCNH2 (0.44) KCNH2ATMATRPRKCQMEN1
SCHEMBL3869962 0.82 KCNH2 (0.42) LRRK2KCNH2ATMATR
SCHEMBL1486803 0.81 PARP14 (0.46) KCNH2ATMATRPRKCQMEN1
SCHEMBL30074835 0.79 PTGES (0.44) PTGESALDH1A1LMNA
SCHEMBL20475933 0.79 PTGES (0.44) PTGESALDH1A1LMNA
SCHEMBL3867867 0.78 PTGES (0.36) PTGESMEN1ALDH1A1LMNAHTT
SCHEMBL3861427 0.78 PTGES (0.36) PTGESMEN1ALDH1A1LMNAHTT
SCHEMBL3861428 0.78 PTGES (0.36) PTGESMEN1ALDH1A1LMNAHTT
SCHEMBL2113617 0.77 KCNH2 (0.41) LRRK2KCNH2ATMATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846710-B2 Method of preferentially inducing the biosynthesis of interferon 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-30 US disclosed
US-8158794-B2 Hydroxyalkyl substituted imidazoquinoline compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-04-17 US disclosed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-01-29 US disclosed
EP-1968587-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS Coley Pharmaceutical, Inc. (US) 2008-09-17 EP disclosed
EP-1851218-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS 3M Innovative Properties Company (US) 2007-11-07 EP disclosed
EP-1850849-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON Coley Pharmaceutical Group, Inc. (US) 2007-11-07 EP disclosed
WO-2007075468-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-05 WO disclosed
WO-2006091647-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed
WO-2006091567-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 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-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon IFNG, IFNAR1, EIF2AK2 PTGES 44/4885LRRK2 4713/4885KCNH2 4722/4885
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods IFNG, IRF3, IFNAR1 PTGES 361/4885LRRK2 4280/4885KCNH2 3353/4885
US-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 PTGES 296/4885LRRK2 3515/4885KCNH2 4354/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 PTGES 296/4885LRRK2 3515/4885KCNH2 4354/4885

“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.