SCHEMBL874288

SCHEMBL874288

COc1ccc2c(c1)C(=O)C(=[N+]=[N-])C(C)(CCCO[Si](C)(C)C(C)(C)C)O2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 1/20 0.33
KDM4E B2RXH2 2/20 0.32
KLK7 P49862 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AURKA O14965 2/20 0.31
DAPK3 O43293 2/20 0.31
STK17B O94768 2/20 0.31
GSK3B P49841 2/20 0.31
BLK P51451 2/20 0.31
BTK Q06187 2/20 0.31
STK17A Q9UEE5 2/20 0.31
DAPK2 Q9UIK4 2/20 0.31

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
SCHEMBL10237755 0.88 ATM (0.33) KDM4EDUT
SCHEMBL874944 0.87 DUT (0.32) DUT
SCHEMBL8515932 0.83 KDM4E (0.34) PPIBKDM4EKLK7ALDH1A1NPC1
SCHEMBL8515935 0.83 KDM4E (0.34) PPIBKDM4EKLK7ALDH1A1NPC1
SCHEMBL8515929 0.83 KDM4E (0.34) PPIBKDM4EKLK7ALDH1A1NPC1
SCHEMBL874636 0.83 KDM4E (0.38) PPIBKDM4EKLK7ALDH1A1NPC1
SCHEMBL875050 0.76 AKT1 (0.46) PPIBKDM4EKLK7ALDH1A1NPC1
SCHEMBL874036 0.73 PPIB (0.35) PPIBKDM4EKLK7ALDH1A1NPC1
SCHEMBL10237758 0.71 KDM4E (0.33) KDM4ESTK17BDUT
SCHEMBL10237757 0.63 AKT1 (0.47) KDM4EALDH1A1GAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 WO disclosed
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 PPIB 621/4885KDM4E 3940/4885KLK7 4564/4885
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 PPIB 621/4885KDM4E 3940/4885KLK7 4564/4885

“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.