SCHEMBL664798

SCHEMBL664798

COc1ccc2cc(O)c(C(=O)NC3=CC(=O)C4OC4C3O)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.56
NPC1 O15118 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 5/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
POLA1 P09884 1/20 0.46
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MCL1 Q07820 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.41
NOD2 Q9HC29 1/20 0.41
MAOB P27338 2/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL666281 0.89 PARK7 (0.55) PARK7NPC1MEN1KMT2ARAB9A
SCHEMBL666087 0.87 PARK7 (0.64) PARK7NPC1MEN1KMT2ARAB9A
SCHEMBL666669 0.85 PARK7 (0.53) PARK7NPC1MEN1KMT2ARAB9A
SCHEMBL116115 0.85 PARK7 (0.53) PARK7NPC1MEN1KMT2ARAB9A
SCHEMBL353742 0.85 PARK7 (0.54) PARK7NPC1MEN1KMT2ARAB9A
SCHEMBL666050 0.77 PARK7 (0.50) PARK7NPC1MEN1KMT2ARAB9A
SCHEMBL352080 0.77 PARK7 (0.51) PARK7NPC1MEN1KMT2ARAB9A
SCHEMBL665474 0.77 PARK7 (0.49) PARK7NPC1MEN1KMT2ARAB9A
SCHEMBL16650067 0.75 PARK7 (0.54) PARK7NPC1MEN1KMT2ARAB9A
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.75 PARK7 (0.54) PARK7NPC1MEN1KMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) PROFECTUS BIOSCIENCES, INC. (US) 2012-02-23 US claimed
US-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) PROFECTUS BIOSCIENCES, INC. (US) 2012-02-23 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-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) NFKBIA, IKBKB, NFKB1 PARK7 3384/4885NPC1 1356/4885MEN1 2667/4885

“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.