SCHEMBL116115

SCHEMBL116115

O=C(NC1=CC(=O)C2OC2C1O)c1cc2cc(Br)ccc2cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.53
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
MCL1 Q07820 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SRC P12931 1/20 0.40
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
F12 P00748 1/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL666087 0.89 PARK7 (0.64) PARK7KMT2AMEN1POLBKDM4E
SCHEMBL167099 0.88 PARK7 (0.50) PARK7KMT2AMEN1POLBKDM4E
SCHEMBL666669 0.87 PARK7 (0.53) PARK7KMT2AMEN1POLBKDM4E
SCHEMBL664798 0.85 PARK7 (0.56) PARK7KMT2AMEN1POLBKDM4E
SCHEMBL352080 0.79 PARK7 (0.51) PARK7KMT2AMEN1POLBMAPT
SCHEMBL665474 0.78 PARK7 (0.49) PARK7KMT2AMEN1POLBKDM4E
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.77 PARK7 (0.54) PARK7KMT2AMEN1POLBKDM4E
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.77 PARK7 (0.54) PARK7KMT2AMEN1POLBKDM4E
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.77 PARK7 (0.54) PARK7KMT2AMEN1POLBKDM4E
Dehydroxymethylepoxyquinomicin SCHEMBL14491796 0.77 PARK7 (0.54) PARK7KMT2AMEN1POLBKDM4E

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 3384/4885KMT2A 468/4885MEN1 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.