SCHEMBL3022747

SCHEMBL3022747

CCOP(=O)(COc1cccc2cccnc12)OCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
KDM4E B2RXH2 5/20 0.51
LMNA P02545 4/20 0.51
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL4388136 0.85 MAPT (0.48) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL13212807 0.82 MAPT (0.55) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL1101347 0.80 MAPT (0.68) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL4381775 0.79 MAPT (0.58) MAPTKDM4ELMNARAB9ANPC1
Hydrochloric Acid SCHEMBL7705481 0.78 MAPT (0.66) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL3011819 0.78 MAPT (0.54) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL7928187 0.77 MEN1 (0.44) MAPTKDM4ELMNARAB9ANPC1
SCHEMBL4132054 0.75 TDP1 (0.55) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL2484526 0.73 MAPT (0.66) MAPTKDM4ELMNARAB9ANPC1
Phenanthroline SCHEMBL29226178 0.73 MAPT (0.52) MAPTKDM4ELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522394-B1 Substituted phosphonates and their use decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2016-12-28 EP disclosed
US-8513219-B2 Substituted phosphonates and their use in decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE, UNIVERSITY OF LONDON (GB) 2013-08-20 US disclosed
EP-2522394-A2 Substituted phosphonates and their use decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-11-14 EP disclosed
US-20100204183-A1 Substituted Phosphonates and Their Use In Decreasing Amyloid Aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-08-12 US disclosed
EP-2152368-A1 SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES Queen Mary and Westfield College (GB) 2010-02-17 EP disclosed
US-7629379-B2 Substituted phosphonate fluorescent sensors and use thereof QUEEN MARY & WESTFIELD COLLEGE (GB) 2009-12-08 US disclosed
WO-2008135743-A1 SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-11-13 WO disclosed
US-20070049761-A1 Substituted phosphonate fluorescent sensors and use thereof QUEEN MARY & WESTFIELD COLLEGE (GB) 2007-03-01 US disclosed
EP-1625134-A2 SUBSTITUTED PHOSPHONATE FLUORESCENT SENSORS AND USE THEREOF QUEEN MARY & WESTFIELD COLLEGE (GB) 2006-02-15 EP disclosed
WO-2004101579-A2 SUBSTITUTED PHOSPHONATE FLUORESCENT SENSORS AND USE THEREOF QUEEN MARY & WESTFIELD COLLEGE (GB) 2004-11-25 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 (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-20070049761-A1 Substituted phosphonate fluorescent sensors and use thereof NR2E3, CASR, NR3C2 MAPT 4604/4885KDM4E 4496/4885LMNA 1229/4885
US-20100204183-A1 Substituted Phosphonates and Their Use In Decreasing Amyloid Aggregates PSEN2, PSEN1, APP MAPT 4/4885KDM4E 4149/4885LMNA 3114/4885

“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.