SCHEMBL311560

SCHEMBL311560

CC(C)(C)[Si](C)(C)OCCNc1c([N+](=O)[O-])cnc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.39
AR P10275 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
PIN1 Q13526 2/20 0.37
MAPT P10636 1/20 0.37
BACE1 P56817 1/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 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
SCHEMBL1486492 0.86 MAPT (0.48) TDO2ARMEN1NPC1RAB9A
SCHEMBL311078 0.84 MAPT (0.37) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL1486746 0.84 NPC1 (0.46) TDO2ARMEN1NPC1RAB9A
SCHEMBL311966 0.83 MEN1 (0.43) TDO2ARMEN1NPC1RAB9A
SCHEMBL1486472 0.83 TDO2 (0.42) TDO2ARMEN1NPC1RAB9A
SCHEMBL1486584 0.83 MEN1 (0.42) TDO2ARMEN1NPC1RAB9A
SCHEMBL3875765 0.81 MAPT (0.44) TDO2ARMEN1NPC1RAB9A
SCHEMBL3875764 0.81 MAPT (0.44) TDO2ARMEN1NPC1RAB9A
SCHEMBL1962206 0.81 MAPT (0.40) TDO2MEN1NPC1RAB9AKMT2A
SCHEMBL1233933 0.81 BCL2 (0.44) TDO2MEN1KMT2AMAPTBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093390-B2 Substituted fused [1,2]imidazo[4,5-C] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-10 US disclosed
US-20090005371-A1 Substituted Fused [1,2]Imidazo[4,5-C] Ring Compounds and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 US disclosed
EP-1845986-A2 SUBSTITUTED FUSED [1,2]IMIDAZO[4,5-C]RING COMPOUNDS AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-10-24 EP disclosed
WO-2006086633-A2 SUBSTITUTED FUSED [1,2]IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 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-20090005371-A1 Substituted Fused [1,2]Imidazo[4,5-C] Ring Compounds and Methods IL2, IFNG, IL4 TDO2 3056/4885AR 2858/4885MEN1 2917/4885

“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.