SCHEMBL4595003

SCHEMBL4595003

Oc1ccc(Sc2ccc(O)c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.50
NR1H2 P55055 1/20 0.48
EP300 Q09472 2/20 0.41
KAT2B Q92831 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
HDAC3 O15379 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GFER P55789 1/20 0.39
HSP90AA1 P07900 1/20 0.38
CTSB P07858 2/20 0.38
CAPN1 P07384 1/20 0.38
CTSL P07711 1/20 0.38
DHFR P00374 1/20 0.36
LDHA P00338 1/20 0.36
GCGR P47871 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL7196033 0.88 IDO1 (0.54) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL9400360 0.85 IDO1 (0.46) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL2789381 0.85 IDO1 (0.46) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL11261233 0.83 IDO1 (0.65) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL14542848 0.78 CAPN1 (0.45) IDO1NR1H2EP300KAT8CYP2D6
SCHEMBL7201257 0.77 NR1H2 (0.48) NR1H2CYP2D6CYP2C9CYP2C19GFER
SCHEMBL10914946 0.77 NR1H2 (0.65) NR1H2CYP2D6CYP2C9CYP2C19GFER
SCHEMBL5399446 0.75 NR1H2 (0.56) NR1H2CYP2D6CYP2C9CYP2C19GFER
SCHEMBL11594393 0.74 IDO1 (0.65) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL7191375 0.73 CYP1A2 (0.54) IDO1EP300KAT2BKAT8HDAC3

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 IDO1 2712/4885NR1H2 1398/4885EP300 1185/4885

“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.