SCHEMBL3018317

SCHEMBL3018317

O=P(O)(O)C(=S)c1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.53
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.51
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 3/20 0.48

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
SCHEMBL28095616 0.78 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MEN1MAPT
SCHEMBL8031188 0.77 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MEN1MAPT
Ammonia Solution, Strong SCHEMBL10619768 0.75 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MEN1MAPT
SCHEMBL17153866 0.75 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MEN1MAPT
Ammonia Solution, Strong SCHEMBL10619764 0.75 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MEN1MAPT
SCHEMBL6319718 0.74 ALDH1A1 (0.66) RAB9ANPC1SMN1; SMN2MEN1MAPT
Zinc Ion SCHEMBL11742498 0.74 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MEN1MAPT
SCHEMBL2170056 0.73 ALDH1A1 (0.64) RAB9ANPC1SMN1; SMN2MEN1MAPT
SCHEMBL28727291 0.73 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2MEN1MAPT
SCHEMBL836745 0.73 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2MEN1MAPT

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 DDAH1 715/4885RAB9A 3436/4885NPC1 652/4885

“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.