SCHEMBL4642628

SCHEMBL4642628

CCCCCNC1C=CC(=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SCN2A Q99250 1/20 0.41
ASAH1 Q13510 1/20 0.40
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NLRP3 Q96P20 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL7065657 0.80 BCHE (0.46) BCHEACHEMEN1KMT2ASCN2A
SCHEMBL3259666 0.73 BCHE (0.89) BCHEACHEMEN1KMT2AASAH1
SCHEMBL8640487 0.71 KMT2A (0.44) BCHEACHEMEN1KMT2ASCN2A
SCHEMBL29004430 0.68 SIGMAR1 (0.40) BCHEACHEMEN1KMT2AKDM4E
SCHEMBL22184064 0.67 ACHE (1.00) BCHEACHEMEN1KMT2AAPAF1
SCHEMBL28846921 0.67 GLB1 (0.36)
SCHEMBL9287125 0.66 BCHE (0.51) BCHEACHEMEN1KMT2ASCN2A
SCHEMBL11593035 0.66 IDO1 (0.38) MEN1KMT2AALDH1A1KDM4E
SCHEMBL10338752 0.65 KDM4E (0.57) BCHEACHEMEN1KMT2AALDH1A1
Naphthoquinone SCHEMBL27826976 0.64 IDO1 (0.54) MEN1KMT2AAPAF1ALDH1A1PTPN1

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-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
EP-1937243-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-07-02 EP disclosed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 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-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation APP, BACE1, SNCA BCHE 194/4885ACHE 22/4885MEN1 2044/4885

“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.