SCHEMBL446464

SCHEMBL446464

CC1(C)Cc2ccc(NC(=O)c3ccccc3)cc2C2(COC(N)=N2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.53
CTSD P07339 5/20 0.53
BACE2 Q9Y5Z0 7/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL446300 0.83 BACE1 (0.58) BACE1CTSDBACE2NPC1RAB9A
SCHEMBL446041 0.82 BACE1 (0.53) BACE1CTSDBACE2
SCHEMBL447848 0.82 BACE1 (0.59) BACE1CTSDBACE2KCNH2
SCHEMBL446391 0.82 BACE1 (0.54) BACE1CTSDBACE2NPC1RAB9A
SCHEMBL15589528 0.80 BACE1 (0.46) BACE1CTSDBACE2KCNH2
SCHEMBL445389 0.73 BACE1 (0.65) BACE1CTSD
SCHEMBL448135 0.72 BACE1 (0.47) BACE1CTSD
SCHEMBL15510444 0.71 BACE1 (0.65) BACE1CTSD
SCHEMBL430500 0.70 BACE1 (0.77) BACE1CTSD
SCHEMBL427982 0.69 BACE1 (1.00) BACE1CTSDKCNH2

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 3 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
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 BACE1 2/4885CTSD 427/4885BACE2 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.