SCHEMBL4593661

SCHEMBL4593661

COc1c(Nc2ccc(I)cc2)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 7/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CDC25B P30305 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.38
MAPT P10636 5/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAPK1 P28482 4/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM1A O60341 1/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37

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
SCHEMBL4594726 0.87 ALDH1A1 (0.55) RAB9AALDH1A1HPGDHSD17B10TP53
SCHEMBL4594439 0.80 EGFR (0.50) RAB9AALDH1A1HPGDHSD17B10TSHR
SCHEMBL4594746 0.80 KDM4E (0.54) RAB9AALDH1A1HPGDTP53TSHR
SCHEMBL5003682 0.72 AKR1C3 (0.45) RAB9AALDH1A1HPGDCDC25BLMNA
SCHEMBL4894881 0.71 CYP3A4 (0.65) RAB9AALDH1A1HPGDHSD17B10TP53
SCHEMBL28661650 0.71 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10TSHRMAPT
SCHEMBL5907883 0.70 ALDH1A1 (0.49) RAB9AALDH1A1HPGDHSD17B10TP53
SCHEMBL11682648 0.70 RAB9A (0.68) RAB9AALDH1A1HPGDHSD17B10CDC25B
SCHEMBL6111311 0.68 MAPT (0.42) RAB9AALDH1A1HPGDHSD17B10TSHR
SCHEMBL30273063 0.68 RAB9A (1.00) RAB9AALDH1A1HPGDHSD17B10TP53

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 8 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

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 RAB9A 2417/4885ALDH1A1 1775/4885HPGD 1023/4885

“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.