SCHEMBL13617376

SCHEMBL13617376

Cc1ccc(N=Nc2c(O)ccc(N=Nc3ccc(SOOO)cc3)c2O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
THRB P10828 4/20 0.46
MAPT P10636 7/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
MAPK1 P28482 4/20 0.41
FTO Q9C0B1 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HSP90AA1 P07900 1/20 0.38
LMNA P02545 4/20 0.36
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 4/20 0.36
HIF1A Q16665 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL8946891 0.84 NPC1 (0.61) NPC1RAB9ATHRBMAPTL3MBTL1
SCHEMBL19958473 0.81 NPC1 (0.69) NPC1RAB9ATHRBMAPTL3MBTL1
SCHEMBL1567479 0.80 FTO (0.61) NPC1RAB9ATHRBMAPTL3MBTL1
SCHEMBL14451198 0.78 PTPN11 (0.46) NPC1RAB9ATHRBMAPTL3MBTL1
SCHEMBL13239215 0.77 PTPN11 (0.45) NPC1RAB9ATHRBMAPTL3MBTL1
SCHEMBL13861529 0.75 MAPT (0.43) NPC1RAB9AMAPTL3MBTL1MAPK1
Resorcin Brown SCHEMBL31650975 0.75 RPS6KA3 (0.59) NPC1RAB9ATHRBMAPTMAPK1
Resorcin Brown SCHEMBL110507 0.75 RPS6KA3 (0.59) NPC1RAB9ATHRBMAPTMAPK1
Resorcin Brown SCHEMBL110506 0.75 RPS6KA3 (0.59) NPC1RAB9ATHRBMAPTMAPK1
Resorcin Brown SCHEMBL185545 0.74 THRB (0.53) NPC1RAB9ATHRBMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280147-A1 Compositions comprising dye-loaded particles NOXELL CORPORATION 2009-11-12 US disclosed
US-20090263658-A1 Dye-loaded particles THE PROCTER & GAMBLE COMPANY 2009-10-22 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 (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-20090280147-A1 Compositions comprising dye-loaded particles CD68, ASAH2, SORT1 NPC1 188/4885RAB9A 1650/4885THRB 4845/4885

“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.