SCHEMBL3285209

SCHEMBL3285209

Cc1ccc(-n2nc3ccccc3[n+]2[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
ALDH1A1 P00352 4/20 0.42
USP2 O75604 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.36
BRD4 O60885 1/20 0.35
KMT2A Q03164 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
CASP6 P55212 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL1263996 0.86 NPC1 (0.63) NPC1RAB9AALDH1A1HTTMAPT
Dinitrophenylene SCHEMBL27653160 0.84 NPC1 (0.50) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL9725068 0.84 NPC1 (0.61) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL3280066 0.83 NPC1 (0.61) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL3279988 0.83 RAB9A (0.61) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL3278073 0.83 RAB9A (0.61) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL3283229 0.83 NPC1 (0.60) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL3285280 0.81 RAB9A (0.48) NPC1RAB9AALDH1A1USP2TP53
SCHEMBL3279724 0.77 RAB9A (0.54) NPC1RAB9AALDH1A1TP53HTT
SCHEMBL3283327 0.77 NPC1 (0.50) NPC1RAB9AALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080667-B2 Electroluminescent metal complexes with triazoles and benzotriazoles BASF SE (DE) 2011-12-20 US disclosed
US-7820828-B2 Electroluminescent metal complexes with triazoles and benzotriazoles CIBA SPECIALTY CHEMICALS CORP. (US) 2010-10-26 US disclosed
US-20100244014-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES AND BENZOTRIAZOLES UDC IRELAND LIMITED (IE) 2010-09-30 US disclosed
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
CN-100528937-C Method for producing carbonyl rest-containing organosilicon compounds WACKER CHEMIE GMBH (DE) 2009-08-19 CN disclosed
US-20080015355-A1 Electroluminescent Metal Complexes With Triazoles And Benzotriazoles UDC IRELAND LIMITED (IE) 2008-01-17 US disclosed
US-20070129520-A1 High yield of 2-formylethyldimethylsilanol-modified polydimethylsiloxane obtained by the continuous process of oxidizing 3-hydroxypropyldimethylsilanol-modified corresponding polymer using Tempoas an oxidation catalyst and air or oxygen as oxidizer in an aqueous dispersion; industrial scale; low cost WACKER CHEMIE AG (DE) 2007-06-07 US disclosed
CN-1906230-A Method for producing carbonyl group-containing organosilicon compound WACKER CHEMIE GMBH (DE) 2007-01-31 CN disclosed
US-20060217281-A1 Oxidation system containing a macrocyclic metal complex, the production thereof and its use LANXESS B.V. (NL) 2006-09-28 US disclosed
US-6297403-B1 OXIDATION OF A (DI)ARYL METHANE OR METHYLENE DERIVATIVE IN PRESENCE OF AN AMINE OXIDE OR HYDROXYAMINE DERIVATIVE MEDIATOR; BY-PRODUCT INHIBITION Consortium für elektrochemische Industrie GmbH (DE) 2001-10-02 US disclosed
US-6187170-B1 SYSTEM FOR THE ELECTROCHEMICAL CLEAVAGE OF COMPOUNDS WHICH INCLUDES A MEDIATOR AND AT LEAST TWO ELECTRODES FOR THE ELECTROCHEMICAL ACTIVATION OF THE MEDIATOR Consortium für elektrochemische Industrie GmbH (DE) 2001-02-13 US disclosed
US-6169213-B1 REACTING A HETEROARYL METHANOL WITH AN OXIDANT AND A MEDIATOR CONTAINING AMINO OXIDE GROUP TO FORM HETEROARYL ALDEHYDE OR A HETEROARYL KETONE Consortium f{umlaut over (u)}r elektrochemische Industrie GmbH (DE) 2001-01-02 US disclosed
US-6069282-A REACTION OF VINYL-, ALKYNYL- OR ARYL-METHANOLS WITH THE AID OF A MEDIATOR AND AN OXIDANT, WHEREIN THE MEDIATOR IS SELECTED FROM THE GROUP OF THE ALIPHATIC, CYCLOALIPHATIC, HETEROCYCLIC OR AROMATIC NO OR NOH CONTAINING COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-05-30 US disclosed
US-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 US disclosed
CN-1142255-A Multicomponent system for modifying decomposing or bleaching lignin, lignin-containing materials or similar substances and method of using this system LIGNOZYM GMBH (DE) 1997-02-05 CN 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-20100244014-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES AND BENZOTRIAZOLES OCIAD1, OXA1L, OCIAD2 NPC1 4518/4885RAB9A 4563/4885ALDH1A1 485/4885
US-20080015355-A1 Electroluminescent Metal Complexes With Triazoles And Benzotriazoles OCIAD1, OXA1L, OCIAD2 NPC1 4577/4885RAB9A 4488/4885ALDH1A1 453/4885

“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.