SCHEMBL878261

SCHEMBL878261

CN1CCC2Oc3ccc(Br)cc3C3(NC(=O)NC3=O)C2C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.41
CTSD P07339 1/20 0.41
AKR1B1 P15121 3/20 0.38
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
AKR1A1 P14550 1/20 0.32
APP P05067 3/20 0.32

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
SCHEMBL891809 0.83 BACE1 (0.39) BACE1CTSDAKR1B1AKR1A1APP
SCHEMBL891983 0.83 BACE1 (0.46) BACE1CTSD
SCHEMBL892115 0.80 BACE1 (0.52) BACE1CTSDAPP
SCHEMBL10209440 0.76 BACE1 (0.37) BACE1CTSDAKR1B1AKR1A1APP
SCHEMBL891714 0.75 BACE1 (0.35) BACE1CTSDAKR1B1AKR1A1APP
SCHEMBL892285 0.75 BACE1 (0.35) BACE1CTSDAKR1B1AKR1A1APP
SCHEMBL892228 0.75 BACE1 (0.35) BACE1CTSDAKR1B1AKR1A1APP
SCHEMBL891705 0.75 BACE1 (0.35) BACE1CTSDAKR1B1AKR1A1APP
SCHEMBL891721 0.75 BACE1 (0.35) BACE1CTSDAKR1B1AKR1A1APP
SCHEMBL877046 0.74 BACE1 (0.43) BACE1CTSDAKR1B1APP

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-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 (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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 BACE1 1/4885CTSD 224/4885AKR1B1 998/4885

“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.