SCHEMBL4594729

SCHEMBL4594729

COc1c(-c2ccccc2N)ccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 1/20 0.44
KEAP1 Q14145 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ABCC1 P33527 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL16082559 0.87 ALDH1A1 (0.54) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL11169779 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1HPGDTSHRHSD17B10
SCHEMBL23060592 0.83 ALDH1A1 (0.38) ALDH1A1L3MBTL1TSHRSMN1; SMN2MAPT
SCHEMBL23060541 0.82 ALDH1A1 (0.40) ALDH1A1L3MBTL1TSHRSMN1; SMN2MAPT
SCHEMBL25466283 0.80 NOS3 (0.45) ALDH1A1CYP3A4SMN1; SMN2MAPTMEN1
SCHEMBL358051 0.80 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHSD17B10CYP3A4
SCHEMBL28372416 0.79 CYP1A2 (0.44) ALDH1A1HPGDTSHRHSD17B10CYP3A4
SCHEMBL6111311 0.79 MAPT (0.42) ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL31607607 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1HPGDHSD17B10CYP3A4
SCHEMBL31607667 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1HPGDHSD17B10CYP3A4

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 6 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
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

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 ALDH1A1 1775/4885L3MBTL1 3686/4885HPGD 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.