SCHEMBL1486624

SCHEMBL1486624

O=[N+]([O-])c1cnc2ccc(OCc3ccccc3)cc2c1NCC1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
KCNH2 Q12809 1/20 0.43
ATR Q13535 1/20 0.43
NMT2 O60551 2/20 0.42
NMT1 P30419 2/20 0.42
PARP14 Q460N5 1/20 0.42
PRKCQ Q04759 4/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
IP6K1 Q92551 1/20 0.40
BACE1 P56817 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL1486803 0.93 PARP14 (0.46) ATMKCNH2ATRPARP14PRKCQ
SCHEMBL1486678 0.85 KCNH2 (0.45) ATMKCNH2ATRNMT2NMT1
SCHEMBL2744399 0.82 KCNH2 (0.44) ATMKCNH2ATRPRKCQMEN1
SCHEMBL1486714 0.81 NMT1 (0.46) ATMNMT2NMT1IP6K1BACE1
SCHEMBL1486665 0.80 IP6K1 (0.47) ATMNMT2NMT1IP6K1BACE1
SCHEMBL1486737 0.80 NMT1 (0.44) ATMNMT2NMT1IP6K1BACE1
SCHEMBL1486654 0.79 IP6K1 (0.42) ATMNMT2NMT1IP6K1BACE1
SCHEMBL1486620 0.79 PIN1 (0.42) ATMNMT1IP6K1BACE1MEN1
SCHEMBL1486503 0.78 MAPT (0.43) ATMNMT2NMT1IP6K1BACE1
SCHEMBL1486692 0.77 PARP14 (0.47) ATMKCNH2ATRNMT2NMT1

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 ATM 2828/4885KCNH2 4376/4885ATR 2926/4885
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 ATM 2787/4885KCNH2 4324/4885ATR 3135/4885

“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.