SCHEMBL4594777

SCHEMBL4594777

COC(=O)c1ccc(Nc2ccc(O)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.57
CDC25B P30305 4/20 0.56
KDM4E B2RXH2 1/20 0.55
ALOX5 P09917 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
PDE5A O76074 1/20 0.50
ABCC1 P33527 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
IDO1 P14902 1/20 0.49
TSHR P16473 1/20 0.49
CDC25A P30304 1/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 2/20 0.47

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
SCHEMBL4594364 0.85 CDC25B (0.62) SIRT2CDC25BKDM4EAKR1C4AKR1C3
SCHEMBL4595187 0.83 CDC25B (0.73) CDC25BKDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL4594357 0.82 RAB9A (0.63) SIRT2CDC25BKDM4EPDE5AABCC1
SCHEMBL4594901 0.81 KDM4E (0.58) SIRT2CDC25BKDM4EALOX5PDE5A
SCHEMBL4594709 0.78 CDC25B (0.66) CDC25BKDM4EIDO1TSHRMEN1
SCHEMBL4594746 0.77 KDM4E (0.54) SIRT2CDC25BKDM4EPDE5AABCC1
SCHEMBL11840391 0.77 IDO1 (0.58) CDC25BKDM4EIDO1MEN1KMT2A
SCHEMBL17276242 0.77 CA12 (0.57) SIRT2KDM4EAKR1C3AKR1C2TSHR
SCHEMBL4190317 0.77 CXCR2 (0.57) SIRT2KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL71303 0.77 TSHR (0.69) SIRT2CDC25BPDE5AABCC1ABCG2

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 7 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 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
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 SIRT2 2073/4885CDC25B 2914/4885KDM4E 4789/4885

“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.