SCHEMBL449103

SCHEMBL449103

CN1C(=O)NC2(CCCc3ccc(Br)cc32)C1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.50
BACE1 P56817 5/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
CASP6 P55212 1/20 0.45
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
APP P05067 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
SCHEMBL447119 0.88 BACE1 (0.58) AKR1B1BACE1LMNAHTTHPGD
SCHEMBL30016504 0.82 BACE1 (0.48) AKR1B1BACE1LMNAHTTHPGD
SCHEMBL24699359 0.82 BACE1 (0.48) AKR1B1BACE1LMNAHTTHPGD
SCHEMBL2571886 0.82 CASP6 (0.64) AKR1B1LMNAHTTHPGDCASP6
SCHEMBL445231 0.78 BACE1 (0.49) AKR1B1BACE1
SCHEMBL427841 0.77 BACE1 (0.52) BACE1
SCHEMBL1978797 0.77 BACE1 (0.46) AKR1B1BACE1
SCHEMBL444596 0.76 CASP6 (0.39) AKR1B1LMNAHTTHPGDCASP6
SCHEMBL429148 0.76 HTT (0.40) AKR1B1LMNAHTTHPGDCASP6
SCHEMBL448629 0.76 AKR1B1 (0.67) AKR1B1

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 AKR1B1 112/4885BACE1 2/4885LMNA 463/4885

“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.