SCHEMBL4595187

SCHEMBL4595187

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 7/20 0.73
ATM Q13315 1/20 0.53
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
AKR1C3 P42330 3/20 0.49
AKR1C2 P52895 3/20 0.49
AKR1C4 P17516 2/20 0.49
AKR1C1 Q04828 2/20 0.49
CXCR2 P25025 1/20 0.49
IDO1 P14902 1/20 0.49
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4594709 0.86 CDC25B (0.66) CDC25BATMKDM4EGAAMAPT
SCHEMBL4594777 0.83 SIRT2 (0.57) CDC25BKDM4EMAPTAKR1C3AKR1C2
SCHEMBL4594836 0.81 CDC25B (0.69) CDC25BKDM4EMAPTALDH1A1THRB
SCHEMBL4595180 0.80 IDO1 (0.57) CDC25BKDM4EGAAMAPTIDO1
SCHEMBL4593706 0.80 CDC25B (0.74) CDC25BAKR1C3AKR1C2MEN1KMT2A
SCHEMBL4593904 0.80 POLB (0.70) CDC25BATMKDM4EGAAMAPT
Benzoic Acid SCHEMBL23212127 0.80 TSHR (0.67) CDC25BKDM4EGAAMAPTTHRB
Hydrochloric Acid SCHEMBL4594014 0.80 CDC25B (0.68) CDC25BKDM4EMAPTALDH1A1THRB
SCHEMBL4594929 0.80 RCE1 (0.56) CDC25BATMKDM4EGAAMAPT
SCHEMBL8931188 0.78 IDO1 (0.68) CDC25BIDO1

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 10 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
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
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
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 2914/4885ATM 3630/4885KDM4E 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.