SCHEMBL874636

SCHEMBL874636

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
KLK7 P49862 1/20 0.38
PPIB P23284 1/20 0.37
AURKA O14965 2/20 0.37
DAPK3 O43293 2/20 0.37
STK17B O94768 2/20 0.37
GSK3B P49841 2/20 0.37
BLK P51451 2/20 0.37
BTK Q06187 2/20 0.37
STK17A Q9UEE5 2/20 0.37
DAPK2 Q9UIK4 2/20 0.37
CDK5 Q00535 1/20 0.37
TEK Q02763 1/20 0.37
ITK Q08881 1/20 0.37
ALDH1A1 P00352 5/20 0.36
GAA P10253 4/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL874288 0.83 PPIB (0.33) KDM4EKLK7PPIBAURKADAPK3
SCHEMBL10237755 0.70 ATM (0.33) KDM4E
SCHEMBL8515935 0.66 KDM4E (0.34) KDM4EKLK7PPIBAURKADAPK3
SCHEMBL8515929 0.66 KDM4E (0.34) KDM4EKLK7PPIBAURKADAPK3
SCHEMBL8515932 0.66 KDM4E (0.34) KDM4EKLK7PPIBAURKADAPK3
SCHEMBL31217566 0.63 PPIB (0.54) KDM4EKLK7PPIBALDH1A1GAA
SCHEMBL11112329 0.61 APEX1 (0.45) KDM4EKLK7PPIBALDH1A1GAA
SCHEMBL6086511 0.61 KDM4E (0.65) KDM4EKLK7PPIBALDH1A1GAA
SCHEMBL19737858 0.60 PPIB (0.57) KDM4EKLK7PPIBALDH1A1GAA
SCHEMBL23747878 0.59 CYP2C9 (0.40) GAATDP1IDO1CA1CA2

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 KDM4E 3940/4885KLK7 4564/4885PPIB 621/4885
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 KDM4E 3940/4885KLK7 4564/4885PPIB 621/4885

“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.