Sugi Predict

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SCHEMBL169409

SCHEMBL169409

CN(C)c1ccc(C(=O)NC2=CC(=O)C3OC3C2O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARK7 Q99497 1/20 0.48
▸ KLKB1 P03952 1/20 0.46
▸ MAOB P27338 4/20 0.37
▸ MAOA P21397 3/20 0.37
▸ MAPT P10636 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGS2 P35354 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL168257 0.93 PARK7 (0.43) PARK7KLKB1MAOBMAOAMAPT
SCHEMBL664248 0.86 PARK7 (0.50) PARK7MAPTMEN1KMT2AALDH1A1
SCHEMBL666528 0.85 PARK7 (0.50) PARK7MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL665039 0.83 PARK7 (0.50) PARK7KLKB1MAPTNPC1RAB9A
SCHEMBL666281 0.82 PARK7 (0.55) PARK7KLKB1MAOBMAPTMEN1
SCHEMBL665007 0.82 PARK7 (0.48) PARK7KLKB1ALDH1A1SMN1; SMN2TP53
SCHEMBL168258 0.81 KLKB1 (0.39) PARK7KLKB1MAOBMAOAMAPT
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.81 PARK7 (0.54) PARK7MAPTMEN1KMT2AALDH1A1
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.81 PARK7 (0.54) PARK7MAPTMEN1KMT2AALDH1A1
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.81 PARK7 (0.54) PARK7MAPTMEN1KMT2AALDH1A1

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 3384/4885KLKB1 61/4885MAOB 382/4885

“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.