SCHEMBL445570

SCHEMBL445570

CN1C(=O)C2(CCCc3cnc(-c4cccc(Cl)c4)cc32)NC1=S

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.37
PGR P06401 6/20 0.35
MAPKAPK2 P49137 1/20 0.35
GRM5 P41594 1/20 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
SCHEMBL446794 0.91 BACE1 (0.39) BACE1PGRGRM5
SCHEMBL449840 0.84 BACE1 (0.42) BACE1MAPKAPK2GRM5
SCHEMBL449885 0.81 BACE1 (0.38) BACE1
SCHEMBL2554654 0.81 PGR (0.38) BACE1PGRGRM5
SCHEMBL430671 0.79 BACE1 (0.38) BACE1
SCHEMBL427954 0.78 BACE1 (0.53) BACE1
SCHEMBL2552657 0.77 PGR (0.39) BACE1PGRMAPKAPK2GRM5
SCHEMBL446490 0.77 BACE1 (0.38) BACE1PGRMAPKAPK2GRM5
SCHEMBL447119 0.72 BACE1 (0.58) BACE1
SCHEMBL449668 0.71 PGR (0.39) BACE1PGRMAPKAPK2

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 BACE1 2/4885PGR 3400/4885MAPKAPK2 1300/4885

“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.