SCHEMBL5356465

SCHEMBL5356465

Nc1c(CCCCl)nc2ccccc2c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.50
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GLA P06280 2/20 0.50
HPGD P15428 2/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CHRM2 P08172 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
CHRM1 P11229 2/20 0.50
SLC6A2 P23975 2/20 0.50
OPRM1 P35372 2/20 0.50
KCNH2 Q12809 2/20 0.50
NQO2 P16083 1/20 0.50
MAOA P21397 1/20 0.50
DRD1 P21728 1/20 0.50
ADRA1A P35348 1/20 0.50

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
SCHEMBL4320768 0.95 ACHE (0.48) ACHEALDH1A1HSD17B10KDM4EGLA
SCHEMBL5350898 0.94 ACHE (0.47) ACHEALDH1A1HSD17B10KDM4EGLA
SCHEMBL5358672 0.94 ACHE (0.47) ACHEALDH1A1HSD17B10KDM4EGLA
SCHEMBL1894406 0.85 NCF1 (0.46) ACHEALDH1A1HSD17B10KDM4EGLA
SCHEMBL15923395 0.81 KDM4E (0.55) ACHEALDH1A1HSD17B10KDM4EGLA
SCHEMBL5455544 0.80 ALDH1A1 (0.46) ACHEALDH1A1HSD17B10KDM4EGLA
SCHEMBL5800686 0.80 ACHE (0.46) ACHEALDH1A1HSD17B10KDM4EGLA
SCHEMBL6104934 0.78 ALDH1A1 (0.47) ACHEALDH1A1HSD17B10KDM4EGLA
SCHEMBL1490764 0.77 SMN1; SMN2 (0.43) ACHEALDH1A1HSD17B10KDM4EGLA
SCHEMBL2368949 0.76 KDM4E (0.46) ACHEALDH1A1HSD17B10KDM4EGLA

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-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
US-6949649-B2 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2005-09-27 US disclosed
US-20050209268-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-09-22 US disclosed
US-20050209267-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
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
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

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 ACHE 4781/4885ALDH1A1 2256/4885HSD17B10 3698/4885
US-20050209268-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 ACHE 4781/4885ALDH1A1 2256/4885HSD17B10 3698/4885
US-20040097736-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 ACHE 4781/4885ALDH1A1 2256/4885HSD17B10 3698/4885
US-20020173655-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 ACHE 4781/4885ALDH1A1 2256/4885HSD17B10 3698/4885
US-20040102471-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 ACHE 4781/4885ALDH1A1 2256/4885HSD17B10 3698/4885
US-20030100764-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 ACHE 4781/4885ALDH1A1 2256/4885HSD17B10 3698/4885

“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.