SCHEMBL666087

SCHEMBL666087

O=C(NC1=CC(=O)C2OC2C1O)c1cc2ccccc2cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.64
NPC1 O15118 8/20 0.46
MEN1 O00255 6/20 0.46
RAB9A P51151 6/20 0.46
KMT2A Q03164 6/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 6/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
NCOA1 Q15788 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
PLG P00747 3/20 0.43
KLK1 P06870 2/20 0.43
KLK6 Q92876 2/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL666669 0.89 PARK7 (0.53) PARK7NPC1MEN1RAB9AKMT2A
SCHEMBL116115 0.89 PARK7 (0.53) PARK7NPC1MEN1RAB9AKMT2A
SCHEMBL664798 0.87 PARK7 (0.56) PARK7NPC1MEN1RAB9AKMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL14491796 0.85 PARK7 (0.54) PARK7NPC1MEN1RAB9AKMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.85 PARK7 (0.54) PARK7NPC1MEN1RAB9AKMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.85 PARK7 (0.54) PARK7NPC1MEN1RAB9AKMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.85 PARK7 (0.54) PARK7NPC1MEN1RAB9AKMT2A
SCHEMBL352080 0.84 PARK7 (0.51) PARK7NPC1MEN1RAB9AKMT2A
SCHEMBL665474 0.84 PARK7 (0.49) PARK7NPC1MEN1RAB9AKMT2A
SCHEMBL666185 0.82 P2RX1 (0.51) PARK7MEN1KMT2A

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.