SCHEMBL666281

SCHEMBL666281

COc1ccc(C(=O)NC2=CC(=O)C3OC3C2O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.55
KLKB1 P03952 1/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
PGR P06401 2/20 0.42
SLC6A2 P23975 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALOX15 P16050 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
AR P10275 1/20 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
SCHEMBL664798 0.89 PARK7 (0.56) PARK7RAB9ANPC1MEN1KMT2A
SCHEMBL666528 0.85 PARK7 (0.50) PARK7RAB9ANPC1MEN1KMT2A
SCHEMBL665039 0.83 PARK7 (0.50) PARK7KLKB1RAB9ANPC1MAPT
SCHEMBL353742 0.83 PARK7 (0.54) PARK7RAB9ANPC1MEN1KMT2A
SCHEMBL169409 0.82 PARK7 (0.48) PARK7KLKB1RAB9ANPC1MEN1
SCHEMBL665007 0.82 PARK7 (0.48) PARK7KLKB1SMN1; SMN2HPGDALDH1A1
SCHEMBL666087 0.81 PARK7 (0.64) PARK7RAB9ANPC1MEN1KMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.81 PARK7 (0.54) PARK7RAB9ANPC1MEN1KMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.81 PARK7 (0.54) PARK7RAB9ANPC1MEN1KMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.81 PARK7 (0.54) PARK7RAB9ANPC1MEN1KMT2A

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 3384/4885KLKB1 61/4885RAB9A 2832/4885

“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.