SCHEMBL445583

SCHEMBL445583

COC(=O)CC1(N)CC(C)(C)Cc2ccc(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
BACE1 P56817 12/20 0.34
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 1/20 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
SCHEMBL445599 0.78 BACE1 (0.38) APPBACE1
SCHEMBL448795 0.74 HPGD (0.32) HPGDMEN1ALDH1A1KMT2AKDM4E
SCHEMBL1828905 0.72 NPSR1 (0.39) APPHPGDMEN1ALDH1A1KMT2A
SCHEMBL1463801 0.70 BACE1 (0.53) APPBACE1
SCHEMBL1463800 0.70 BACE1 (0.53) APPBACE1
SCHEMBL12246365 0.66 AKR1B1 (0.46) NPSR1
Hydrochloric Acid SCHEMBL1822716 0.66 AKR1B1 (0.45) MEN1KMT2AKDM4ENPSR1MAPT
SCHEMBL20685014 0.65 BACE1 (0.36) BACE1MAPT
SCHEMBL30758533 0.64 MAPT (0.39) MEN1ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL568062 0.64 MEN1 (0.42) MEN1ALDH1A1KMT2AMAPT

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 APP 1/4885HPGD 303/4885MEN1 1819/4885

“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.