SCHEMBL1486597

SCHEMBL1486597

CC(C)Cn1cnc2c[n+]([O-])c3ccc(OCc4ccccc4)cc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
TLR7 Q9NYK1 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
ADORA2A P29274 1/20 0.38
ADRA1A P35348 1/20 0.38
NUDT1 P36639 1/20 0.38
HTR2B P41595 1/20 0.38
PDE4D Q08499 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAOB P27338 1/20 0.38
DYRK1A Q13627 1/20 0.37
IP6K1 Q92551 1/20 0.36

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
SCHEMBL3192664 0.80 TLR7 (0.47) MEN1KMT2ATLR7LMNAPOLB
SCHEMBL30601125 0.80 TLR7 (0.47) MEN1KMT2ATLR7LMNAPOLB
SCHEMBL1486556 0.80 NMT1 (0.46) HRH3TLR7LMNAPOLBHRH2
SCHEMBL1486743 0.80 L3MBTL1 (0.39) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL10731578 0.80 POLB (0.41) MEN1NPC1RAB9AKMT2ATLR7
Hydrochloric Acid SCHEMBL3198630 0.79 TLR7 (0.46) MEN1KMT2ATLR7LMNAPOLB
SCHEMBL1486500 0.79 LTA4H (0.48) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL1486524 0.79 TLR7 (0.40) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL1486543 0.76 MEN1 (0.44) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL10589305 0.74 HDAC6 (0.38) NPC1RAB9ATLR7LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 EP disclosed
US-8263594-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-11 US disclosed
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2011-06-16 US disclosed
US-7897597-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
EP-1658076-A4 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 EP disclosed
US-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2009-01-15 US disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 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-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines IL2, IFNG, IRF3 HRH3 392/4885MEN1 4690/4885NPC1 2265/4885
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 HRH3 729/4885MEN1 4631/4885NPC1 2205/4885

“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.