SCHEMBL1960443

SCHEMBL1960443

CC(C)CNc1c([N+](=O)[O-])c2nnnn2c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
BRD4 O60885 1/20 0.36
MAOB P27338 2/20 0.36
HTR3A P46098 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 1/20 0.35
AR P10275 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
EDNRA P25101 1/20 0.34
MAPT P10636 1/20 0.34
AS3MT Q9HBK9 1/20 0.34

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
SCHEMBL1959338 0.85 AS3MT (0.40) MEN1NPC1RAB9AKMT2ABRD4
SCHEMBL1962121 0.82 CTSV (0.42) CTSVCTSLMEN1NPC1RAB9A
SCHEMBL6099648 0.82 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL7025149 0.75 MAPT (0.38) MEN1NPC1RAB9AKMT2ABRD4
SCHEMBL1486737 0.72 NMT1 (0.44) CTSVCTSLMEN1NPC1RAB9A
SCHEMBL1486452 0.71 PIN1 (0.43) CTSVCTSLMEN1NPC1RAB9A
SCHEMBL9893345 0.69 MAPT (0.50) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL1960990 0.66 TLR7 (0.42) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL5827193 0.66 DPP4 (0.38) MEN1KMT2AALDH1A1MAPT
SCHEMBL1962901 0.65 MAOB (0.43) MEN1NPC1RAB9AKMT2AMAOB

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 3 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

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-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 CTSV 692/4885CTSL 1261/4885MEN1 4631/4885

“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.