SCHEMBL449002

SCHEMBL449002

Cc1cc(C(=O)Nc2ccc3c(c2)C2(CCSC(N)=N2)CC(C)(C)C3)c(C)o1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.60
BACE2 Q9Y5Z0 3/20 0.47
CTSD P07339 1/20 0.47
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
HPGD P15428 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
SCHEMBL446502 0.83 BACE1 (0.47) BACE1BACE2CTSDNPC1RAB9A
SCHEMBL446462 0.82 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL445972 0.80 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL10194396 0.79 BACE1 (0.74) BACE1BACE2
SCHEMBL447947 0.79 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL448330 0.78 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL10155494 0.78 BACE1 (0.80) BACE1
SCHEMBL4079046 0.75 BACE1 (1.00) BACE1
SCHEMBL10155565 0.75 BACE1 (1.00) BACE1
SCHEMBL4087238 0.72 BACE1 (0.76) BACE1

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 2/4885BACE2 4/4885CTSD 427/4885

“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.