SCHEMBL449885

SCHEMBL449885

CN1C(=O)C2(CCCc3cnc(Cl)cc32)NC1=S

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.38
CASP6 P55212 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
AKR1B1 P15121 3/20 0.33
CYP2C19 P33261 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL444596 0.89 CASP6 (0.39) CASP6HTTLMNAAKR1B1CYP2C19
SCHEMBL430671 0.88 BACE1 (0.38) BACE1CASP6HTTLMNAAKR1B1
SCHEMBL445570 0.81 BACE1 (0.37) BACE1
SCHEMBL447119 0.78 BACE1 (0.58) BACE1CASP6HTTLMNAAKR1B1
SCHEMBL429148 0.77 HTT (0.40) CASP6HTTLMNAAKR1B1CYP2C19
SCHEMBL2551827 0.76 AKR1B1 (0.33) BACE1AKR1B1
SCHEMBL446093 0.76 AKR1B1 (0.55) AKR1B1
SCHEMBL448218 0.72 BACE1 (0.44) BACE1
SCHEMBL2548076 0.72 AKR1B1 (0.38) BACE1AKR1B1
SCHEMBL446794 0.70 BACE1 (0.39) BACE1CASP6HTTLMNAAKR1B1

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 2/4885CASP6 186/4885HTT 13/4885

“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.