SCHEMBL1486464

SCHEMBL1486464

O=C(O)NCCCCNc1c([N+](=O)[O-])cnc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
BACE1 P56817 1/20 0.42
ATM Q13315 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
BRD4 O60885 1/20 0.41
SIRT5 Q9NXA8 3/20 0.40
GSR P00390 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 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
SCHEMBL1486461 1.00 MEN1 (0.42) MEN1KMT2AMAPTTDP1BACE1
SCHEMBL1231815 0.98 MAPT (0.42) MEN1KMT2AMAPTTDP1BACE1
SCHEMBL1231816 0.98 MAPT (0.42) MEN1KMT2AMAPTTDP1BACE1
SCHEMBL1231888 0.94 MAPT (0.43) MEN1KMT2AMAPTBACE1ATM
SCHEMBL1231886 0.94 MAPT (0.43) MEN1KMT2AMAPTBACE1ATM
SCHEMBL1486586 0.93 MAPT (0.46) MEN1KMT2AMAPTTDP1BACE1
SCHEMBL1486588 0.93 MAPT (0.46) MEN1KMT2AMAPTTDP1BACE1
SCHEMBL4394795 0.89 BCL2 (0.46) MAPTBRD4
SCHEMBL27677403 0.88 BRD4 (0.41) MEN1KMT2AMAPTTDP1BRD4
SCHEMBL311966 0.88 MEN1 (0.43) MEN1KMT2AMAPTTDP1BACE1

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 6 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-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 (1 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 MEN1 4690/4885KMT2A 2818/4885MAPT 4765/4885

“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.