SCHEMBL3012364

SCHEMBL3012364

O=P(O)(O)COc1ccccc1-c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 10/20 0.48
KDM4E B2RXH2 5/20 0.48
GAA P10253 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HCRTR1 O43613 1/20 0.46
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 3/20 0.44
TP53 P04637 3/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.44
DDAH1 O94760 1/20 0.43
LMNA P02545 1/20 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
SCHEMBL3020584 0.83 KMT2A (0.48) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL24556005 0.82 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL25060427 0.79 KDM4E (0.60) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL3665557 0.78 MEN1 (0.51) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6399038 0.77 PTGS1 (0.51) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL8050368 0.77 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL25068629 0.77 KDM4E (0.62) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL25711522 0.75 NPC1 (0.51) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL8051619 0.75 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL23465937 0.74 NPC1 (0.58) ALDH1A1NPC1RAB9AMEN1KMT2A

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 6 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
WO-2008135743-A1 SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-11-13 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-20100204183-A1 Substituted Phosphonates and Their Use In Decreasing Amyloid Aggregates PSEN2, PSEN1, APP ALDH1A1 4276/4885NPC1 652/4885RAB9A 3436/4885

“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.