SCHEMBL5358407

SCHEMBL5358407

O=[N+]([O-])c1cnc2ccccc2c1NCCCCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48
MAOA P21397 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADORA2A P29274 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 5/20 0.44

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
SCHEMBL4321129 0.96 ADRA1A (0.50) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL4314418 0.95 ADRA1A (0.49) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL5361174 0.95 ADRA1A (0.49) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL5354341 0.93 CHRM2 (0.44) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL6098673 0.92 MAPT (0.52) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2888870 0.88 POLB (0.56) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL4344919 0.88 CHRM2 (0.47) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL6718844 0.88 MAPT (0.50) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL1895040 0.88 CHRM2 (0.41) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL13645413 0.88 MAPT (0.46) CHRM2CHRM1DRD2ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288550-B2 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-30 US disclosed
US-7276515-B2 Thioether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-10-02 US disclosed
CN-1253452-C Thioether subsituted imidazoquinoline compound 3M INNOVATIVE PROPERTIES CO (US) 2006-04-26 CN disclosed
US-6949649-B2 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2005-09-27 US disclosed
US-20050209267-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-09-22 US disclosed
US-20050209268-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-09-22 US disclosed
US-6921826-B2 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2005-07-26 US disclosed
EP-1541572-A1 Thioether substituted imidazoquinolines 3M Innovative Properties Company (US) 2005-06-15 EP disclosed
EP-1341791-B1 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2005-05-25 EP disclosed
EP-1451191-A1 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2004-09-01 EP disclosed
US-20040102471-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-05-27 US disclosed
US-20040097736-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-05-20 US disclosed
CN-1479738-A thioether substituted imidazoquinoline compounds 3M 2004-03-03 CN disclosed
US-6667312-B2 Useful as immune response modifiers 3M INNOVATIVE PROPERTIES COMPANY 2003-12-23 US disclosed
US-6664264-B2 Thioether substituted imidazoquinoline or tetrahydroimdazoquinoline compounds induce the biosynthesis of cytokines such as interferon and useful for treating viral disease in an animal 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
EP-1341791-A2 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-10 EP disclosed
WO-2003050121-A1 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
US-20030100764-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 US disclosed
US-20020173655-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2002-11-21 US disclosed
WO-2002046192-A2 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 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 (6 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-20050209267-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 CHRM2 4686/4885CHRM1 4527/4885DRD2 4517/4885
US-20050209268-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 CHRM2 4686/4885CHRM1 4527/4885DRD2 4517/4885
US-20040097736-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 CHRM2 4686/4885CHRM1 4527/4885DRD2 4517/4885
US-20020173655-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 CHRM2 4686/4885CHRM1 4527/4885DRD2 4517/4885
US-20040102471-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 CHRM2 4686/4885CHRM1 4527/4885DRD2 4517/4885
US-20030100764-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 CHRM2 4686/4885CHRM1 4527/4885DRD2 4517/4885

“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.