SCHEMBL311966

SCHEMBL311966

O=[N+]([O-])c1cnc2cc(OCc3ccccc3)ccc2c1NCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
BACE1 P56817 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
PIN1 Q13526 2/20 0.42
TDO2 P48775 1/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.41
AR P10275 1/20 0.41
LMNA P02545 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
SPHK2 Q9NRA0 1/20 0.40

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
SCHEMBL1486746 0.91 NPC1 (0.46) MEN1KMT2ABACE1NPC1RAB9A
SCHEMBL1231886 0.89 MAPT (0.43) MEN1KMT2ABACE1NPC1RAB9A
SCHEMBL1231888 0.89 MAPT (0.43) MEN1KMT2ABACE1NPC1RAB9A
SCHEMBL1486492 0.89 MAPT (0.48) MEN1KMT2ANPC1RAB9AATM
SCHEMBL1231816 0.88 MAPT (0.42) MEN1KMT2ABACE1NPC1RAB9A
SCHEMBL1486461 0.88 MEN1 (0.42) MEN1KMT2ABACE1NPC1RAB9A
SCHEMBL1231815 0.88 MAPT (0.42) MEN1KMT2ABACE1NPC1RAB9A
SCHEMBL1486464 0.88 MEN1 (0.42) MEN1KMT2ABACE1NPC1RAB9A
SCHEMBL1486584 0.85 MEN1 (0.42) MEN1KMT2ABACE1NPC1RAB9A
SCHEMBL1486452 0.85 PIN1 (0.43) MEN1KMT2ABACE1NPC1RAB9A

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 MEN1 2917/4885KMT2A 3895/4885BACE1 4370/4885

“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.