SCHEMBL447030

SCHEMBL447030

CC1(C)Cc2ccc(NC(=O)c3ccc(Br)cn3)cc2C2(COC(NC(=O)O)=N2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.49
APP P05067 5/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
BACE2 Q9Y5Z0 1/20 0.48
CTSD P07339 1/20 0.43

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
SCHEMBL447848 0.88 BACE1 (0.59) BACE1APPCYP3A4CYP2D6CYP2C9
SCHEMBL449162 0.88 BACE1 (0.46) BACE1APPCYP3A4CYP2D6CYP2C9
SCHEMBL2557900 0.85 BACE1 (0.36) BACE1APPCYP3A4CYP2D6CYP2C9
SCHEMBL446897 0.85 BACE1 (0.43) BACE1APPCTSD
SCHEMBL448287 0.82 BACE1 (0.49) BACE1APPCYP3A4CYP2D6CYP2C9
SCHEMBL446300 0.79 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL445211 0.78 BACE1 (0.73) BACE1BACE2CTSD
SCHEMBL447947 0.78 BACE1 (0.61) BACE1APPBACE2CTSD
SCHEMBL448135 0.78 BACE1 (0.47) BACE1CYP2C9CTSD
SCHEMBL2561886 0.75 BACE1 (0.36) BACE1APPCYP3A4CYP2D6CYP2C9

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 2/4885APP 1/4885CYP3A4 3094/4885

“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.