SCHEMBL4594836

SCHEMBL4594836

O=C(O)c1cc(Nc2ccc(O)c3ccccc23)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.69
ALDH1A1 P00352 2/20 0.51
NOX4 Q9NPH5 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
DDX3X O00571 1/20 0.51
HTT P42858 1/20 0.51
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
LCK P06239 1/20 0.49
THRB P10828 1/20 0.47
DHFR P00374 1/20 0.47
HNF4A P41235 1/20 0.47
MCL1 Q07820 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
CTNNB1 P35222 1/20 0.47
IDO1 P14902 1/20 0.46

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
Hydrochloric Acid SCHEMBL4594014 0.98 CDC25B (0.68) CDC25BALDH1A1NOX4KDM4EMAPT
SCHEMBL2586289 0.82 ALDH1A1 (0.58) ALDH1A1NOX4KDM4EMAPTDDX3X
SCHEMBL2130340 0.81 CA1 (0.59) ALDH1A1NOX4KDM4EMAPTDDX3X
SCHEMBL4595187 0.81 CDC25B (0.73) CDC25BALDH1A1KDM4EMAPTAKR1C4
SCHEMBL4594709 0.79 CDC25B (0.66) CDC25BALDH1A1KDM4EMAPTIDO1
SCHEMBL4594987 0.76 CDC25B (0.71) CDC25BKDM4EMAPTAKR1C4AKR1C3
SCHEMBL8931188 0.75 IDO1 (0.68) CDC25BIDO1
SCHEMBL6601352 0.75 AKR1C3 (0.66) ALDH1A1KDM4EMAPTAKR1C4AKR1C3
SCHEMBL14486544 0.75 AKR1C3 (0.60) CDC25BALDH1A1KDM4EMAPTAKR1C4
SCHEMBL4595180 0.74 IDO1 (0.57) CDC25BKDM4EMAPTIDO1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101291665-A Naphthyl derivatives as inhibitors of beta-amyloid aggregation SIGMA TAU IND FARMACEUTI (IT) 2008-10-22 CN claimed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US claimed
EP-1937243-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-07-02 EP claimed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 WO claimed
CN-101291665-A Naphthyl derivatives as inhibitors of beta-amyloid aggregation SIGMA TAU IND FARMACEUTI (IT) 2008-10-22 CN disclosed
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
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
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
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 CDC25B 2914/4885ALDH1A1 1775/4885NOX4 1973/4885

“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.