SCHEMBL429148

SCHEMBL429148

Cc1cc2c(cn1)CCCC21NC(=O)N(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
CASP6 P55212 1/20 0.39
AKR1B1 P15121 6/20 0.38
LMNA P02545 2/20 0.38
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL430671 0.89 BACE1 (0.38) HTTCASP6AKR1B1LMNACYP2C19
SCHEMBL444596 0.87 CASP6 (0.39) HTTCASP6AKR1B1LMNACYP2C19
SCHEMBL428953 0.79 AKR1B1 (0.55) AKR1B1
SCHEMBL446794 0.78 BACE1 (0.39) HTTCASP6AKR1B1LMNA
SCHEMBL449885 0.77 BACE1 (0.38) HTTCASP6AKR1B1LMNACYP2C19
SCHEMBL449103 0.76 AKR1B1 (0.50) HTTCASP6AKR1B1LMNAHPGD
SCHEMBL2571886 0.74 CASP6 (0.64) HTTCASP6AKR1B1LMNACYP2C19
SCHEMBL429165 0.73 BACE1 (0.43)
SCHEMBL445570 0.69 BACE1 (0.37)
SCHEMBL21132278 0.68 LMNA (0.41) LMNAHPGDALDH1A1

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 HTT 13/4885CASP6 186/4885AKR1B1 112/4885

“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.