SCHEMBL3453341

SCHEMBL3453341

COC(=O)COc1ccc(/C=N\O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
USP2 O75604 1/20 0.48
HTT P42858 2/20 0.47
POLB P06746 3/20 0.45
TP53 P04637 1/20 0.45
PAX8 Q06710 1/20 0.45
KLF5 Q13887 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
APP P05067 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL3453342 1.00 NPC1 (0.51) NPC1RAB9AUSP2HTTPOLB
SCHEMBL13108881 1.00 NPC1 (0.51) NPC1RAB9AUSP2HTTPOLB
SCHEMBL2281472 0.84 ALDH1A1 (0.55) HTTPOLBSMN1; SMN2APPMAPT
SCHEMBL4701109 0.80 RAB9A (0.46) NPC1RAB9APOLBTP53PAX8
SCHEMBL4701107 0.80 RAB9A (0.46) NPC1RAB9APOLBTP53PAX8
SCHEMBL12402287 0.79 GAA (0.62) NPC1RAB9AHTTPOLBSMN1; SMN2
SCHEMBL6779843 0.78 PTGS2 (0.61) NPC1RAB9APOLBSMN1; SMN2MAPT
SCHEMBL6779837 0.78 PTGS2 (0.61) NPC1RAB9APOLBSMN1; SMN2MAPT
SCHEMBL12626708 0.78 PTGS2 (0.61) NPC1RAB9APOLBSMN1; SMN2MAPT
SCHEMBL28827968 0.77 HPGD (0.62) NPC1RAB9AHTTPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 US disclosed
EP-1745027-A4 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-06-03 EP disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
EP-1745027-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM, LLC (BM) 2007-01-24 EP disclosed
WO-2005113519-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-01 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-20080114044-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD NPC1 425/4885RAB9A 2891/4885USP2 4015/4885

“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.