SCHEMBL316744

SCHEMBL316744

[CH]c1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
CYP2A6 P11509 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FLT3 P36888 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MGLL Q99685 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TYR P14679 1/20 0.47
DAO P14920 1/20 0.47
AKR1B1 P15121 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 2/20 0.45
MAOB P27338 6/20 0.44
RAB9A P51151 2/20 0.44
MAOA P21397 2/20 0.44
ALDH1A1 P00352 1/20 0.44
AGXT P21549 1/20 0.44
CA12 O43570 4/20 0.43

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
SCHEMBL17236445 0.79 KDM4E (0.48) KDM4ECYP2A6TDP1FLT3LOXL2
SCHEMBL1253016 0.75 APP (0.47) KDM4ECYP2A6TDP1FLT3LOXL2
SCHEMBL30036439 0.74 MAOB (0.63) KDM4ECYP2A6TDP1FLT3LOXL2
SCHEMBL103158 0.74 MAOB (0.63) KDM4ECYP2A6TDP1FLT3LOXL2
Hydrochloric Acid SCHEMBL30577224 0.73 KDM4E (0.47) KDM4ECYP2A6TDP1FLT3LOXL2
SCHEMBL1009796 0.70 MAOB (0.48) KDM4ECYP2A6TDP1FLT3LOXL2
SCHEMBL8874655 0.70 KDM4E (0.48) KDM4ECYP2A6TDP1FLT3LOXL2
SCHEMBL276909 0.70 CYP2A6 (0.54) KDM4ECYP2A6TDP1FLT3LOXL2
SCHEMBL21179480 0.70 MAOB (0.48) KDM4ECYP2A6TDP1FLT3LOXL2
SCHEMBL21494529 0.70 KDM4E (0.48) KDM4ECYP2A6TDP1FLT3LOXL2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US claimed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US claimed
EP-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP claimed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO claimed
EP-2007373-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY Foldrx Pharmaceuticals, Inc. (US) 2008-12-31 EP claimed
WO-2007126841-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRX PHARMACEUTICALS, INC. (US) 2007-11-08 WO claimed
US-8592458-B2 Alpha7 nicotinic receptor selective ligands UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-11-26 US disclosed
US-20120237563-A1 CONTROLLED-RELEASE FORMULATIONS OF ANABASEINE COMPOUNDS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. (US) 2012-09-20 US disclosed
EP-2467131-A2 CONTROLLED-RELEASE FORMULATIONS OF ANABASEINE COMPOUNDS AND USES THEREOF University of Florida Research Foundation, Inc. (US) 2012-06-27 EP disclosed
US-20120094943-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-04-19 US disclosed
US-8093269-B2 Alpha 7 nicotinic receptor selective ligands UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-01-10 US disclosed
WO-2011022467-A2 CONTROLLED-RELEASE FORMULATIONS OF ANABASEINE COMPOUNDS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-02-24 WO disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
WO-2007126841-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRX PHARMACEUTICALS, INC. (US) 2007-11-08 WO disclosed
EP-1836182-A2 HETEROCYCLYLBIPHENYL DERIVATES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-09-26 EP disclosed
WO-2006133303-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2006-12-14 WO disclosed
US-20060122257-A1 Phenyl substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055625-A2 HETEROCYCLYLBIPHENYL DERIVATES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
WO-2005123075-A2 CONTROLLING ANGIOGENESIS WITH ANABASEINE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2005-12-29 WO disclosed
US-20050288333-A1 Controlling angiogenesis with anabaseine analogs NATIONAL INSTITUTE OF HEALTH 2005-12-29 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 (5 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-20120094943-A1 ALPHA 7 NICOTINIC RECEPTOR SELECTIVE LIGANDS CHRNA7, CHRNA10, CHRNA5 KDM4E 3829/4885CYP2A6 2142/4885TDP1 2857/4885
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 KDM4E 4683/4885CYP2A6 4531/4885TDP1 356/4885
US-20060122257-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO KDM4E 1082/4885CYP2A6 744/4885TDP1 1353/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B KDM4E 4425/4885CYP2A6 4429/4885TDP1 3089/4885
US-20050288333-A1 Controlling angiogenesis with anabaseine analogs EDNRB, TEK, FLT4 KDM4E 2764/4885CYP2A6 4381/4885TDP1 2083/4885

“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.