SCHEMBL9932263

SCHEMBL9932263

NC1=NC2(CS1)c1cc(Br)ccc1OC1CC(=O)CCC12

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.44
CTSD P07339 4/20 0.44
APP P05067 4/20 0.35

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
SCHEMBL9932264 1.00 BACE1 (0.44) BACE1CTSDAPP
SCHEMBL9932333 0.92 BACE1 (0.46) BACE1CTSDAPP
SCHEMBL8537587 0.92 BACE1 (0.46) BACE1CTSDAPP
SCHEMBL9932084 0.84 BACE1 (0.49) BACE1CTSDAPP
SCHEMBL9931901 0.82 BACE1 (0.46) BACE1CTSD
SCHEMBL9931897 0.82 BACE1 (0.46) BACE1CTSD
SCHEMBL9931984 0.80 BACE1 (0.44) BACE1CTSDAPP
SCHEMBL9931985 0.80 BACE1 (0.44) BACE1CTSDAPP
SCHEMBL8536474 0.79 BACE1 (0.66) BACE1CTSDAPP
SCHEMBL8536475 0.79 BACE1 (0.66) BACE1CTSDAPP

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 1 patent. 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

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 BACE1 1/4885CTSD 224/4885APP 4/4885

“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.