SCHEMBL167099

SCHEMBL167099

O=C(NC1=CC(=O)C2OC2C1O)c1cc(Br)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.50
TMPRSS4 Q9NRS4 1/20 0.45
PLAU P00749 2/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLAT P00750 1/20 0.42
ALOX15 P16050 2/20 0.41
CYP1A2 P05177 2/20 0.40
HPGD P15428 2/20 0.40
CES2 O00748 1/20 0.40
GALR3 O60755 1/20 0.40
CYP2C9 P11712 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 4/20 0.40
MAPT P10636 3/20 0.40
GSTA1 P08263 1/20 0.39
KMT2A Q03164 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 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
SCHEMBL116115 0.88 PARK7 (0.53) PARK7GAAMAPTKMT2ANPC1
SCHEMBL666050 0.86 PARK7 (0.50) PARK7TMPRSS4PLAUF2F10
SCHEMBL666185 0.86 P2RX1 (0.51) PARK7TMPRSS4KMT2AMEN1P2RX1
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.84 PARK7 (0.54) PARK7HPGDGAAMAPTKMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL14491796 0.84 PARK7 (0.54) PARK7HPGDGAAMAPTKMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.84 PARK7 (0.54) PARK7HPGDGAAMAPTKMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.84 PARK7 (0.54) PARK7HPGDGAAMAPTKMT2A
SCHEMBL666087 0.82 PARK7 (0.64) PARK7PLAUF2F10PLAT
SCHEMBL665474 0.81 PARK7 (0.49) PARK7TMPRSS4MAPTKMT2ANPC1
SCHEMBL666528 0.79 PARK7 (0.50) PARK7PLAUF2F10PLAT

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 4 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
EP-2424850-A1 BENZAMIDE AND NAPHTHAMIDE DERIVATIVES INHIBITING NUCLEAR FACTOR- KAP PA (B) - (NF-KB) Profectus Biosciences, Inc. (US) 2012-03-07 EP disclosed
US-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) PROFECTUS BIOSCIENCES, INC. (US) 2012-02-23 US disclosed
WO-2010127058-A1 BENZAMIDE AND NAPHTHAMIDE DERIVATIVES INHIBITING NUCLEAR FACTOR- KAP PA (B) - (NF-KB) PROFECTUS BIOSCIENCES, INC. (US) 2010-11-04 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-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) NFKBIA, IKBKB, NFKB1 PARK7 3384/4885TMPRSS4 2798/4885PLAU 3998/4885

“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.