SCHEMBL213486

SCHEMBL213486

O=[N+]([O-])c1c(Cl)nc2ccccc2c1NCCCCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
RAD52 P43351 3/20 0.56
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MITF O75030 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TTR P02766 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
MAOA P21397 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
ADORA2A P29274 1/20 0.47

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
SCHEMBL203833 0.96 POLB (0.60) POLBRAD52RAB9AKDM4EMITF
SCHEMBL12744387 0.91 POLB (0.58) POLBRAD52RAB9AKDM4EMITF
SCHEMBL17675516 0.88 BCHE (0.48) POLBRAD52CHRM2CHRM1DRD2
SCHEMBL17675518 0.88 BCHE (0.48) POLBRAD52CHRM2CHRM1DRD2
SCHEMBL15922800 0.87 SMN1; SMN2 (0.57) KDM4ELMNACHRM2CHRM1DRD2
SCHEMBL6723473 0.87 KDM4E (0.51) POLBRAD52RAB9AKDM4EALDH1A1
SCHEMBL14850941 0.85 POLB (0.45) POLBRAD52RAB9AKDM4EMITF
SCHEMBL1457048 0.85 CHRM2 (0.44) POLBRAD52RAB9AKDM4EALDH1A1
SCHEMBL22445094 0.84 KMT2A (0.43) POLBRAD52ALDH1A1LMNAKMT2A
SCHEMBL1456869 0.84 KDM4E (0.52) POLBRAD52RAB9AKDM4EMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948173-B1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2013-07-17 EP disclosed
US-8377957-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-19 US disclosed
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2012-03-22 US disclosed
US-8088790-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS PFIZER INC. 2009-09-03 US disclosed
EP-1948173-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS Coley Pharmaceutical Group, Inc. (US) 2008-07-30 EP disclosed
WO-2007056112-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-05-18 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 (2 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-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 POLB 1616/4885RAD52 483/4885RAB9A 3250/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 POLB 1616/4885RAD52 483/4885RAB9A 3250/4885

“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.