SCHEMBL446391

SCHEMBL446391

CC1(C)Cc2ccc(NC(=O)c3cnccn3)cc2C2(COC(N)=N2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.54
CTSD P07339 5/20 0.53
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
BACE2 Q9Y5Z0 8/20 0.48
MAPT P10636 1/20 0.48
ROCK2 O75116 1/20 0.45
KCNH2 Q12809 1/20 0.45

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 0.89 BACE1 (0.58) BACE1CTSDNPC1RAB9ASMN1; SMN2
SCHEMBL445211 0.86 BACE1 (0.73) BACE1CTSDBACE2KCNH2
SCHEMBL447848 0.85 BACE1 (0.59) BACE1CTSDBACE2KCNH2
SCHEMBL446464 0.82 BACE1 (0.53) BACE1CTSDNPC1RAB9ASMN1; SMN2
SCHEMBL446041 0.82 BACE1 (0.53) BACE1CTSDBACE2
SCHEMBL15589528 0.78 BACE1 (0.46) BACE1CTSDBACE2KCNH2
SCHEMBL15589016 0.74 BACE1 (0.77) BACE1KCNH2
SCHEMBL447030 0.74 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL449162 0.70 BACE1 (0.46) BACE1CTSDBACE2
SCHEMBL445389 0.70 BACE1 (0.65) BACE1CTSD

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
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 2/4885CTSD 427/4885NPC1 45/4885

“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.