SCHEMBL168258

SCHEMBL168258

CN(C)c1ccc(C(=O)NC2=CC(=O)C3OC3C2OC(=O)C(F)(F)F)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.39
PARK7 Q99497 1/20 0.35
MAOB P27338 3/20 0.32
MAOA P21397 2/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RX1 P51575 2/20 0.31
P2RX4 Q99571 2/20 0.31
P2RX7 Q99572 2/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31

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 0.83 PARK7 (0.43) KLKB1PARK7MAOBMAOAMEN1
SCHEMBL169409 0.81 PARK7 (0.48) KLKB1PARK7MAOBMAOAMEN1
SCHEMBL352373 0.73 EGLN1 (0.40) PARK7MEN1NPC1MAPTHPGD
SCHEMBL664248 0.71 PARK7 (0.50) PARK7MEN1NPC1ALDH1A1TP53
SCHEMBL666334 0.71 KLKB1 (0.47) KLKB1MAOBMAOAMEN1NPC1
SCHEMBL116427 0.69 PARK7 (0.48) PARK7MEN1NPC1KMT2AP2RX1
SCHEMBL1285881 0.69 PNLIP (0.40) PARK7MEN1NPC1ALDH1A1TP53
SCHEMBL666528 0.67 PARK7 (0.50) PARK7MEN1NPC1TP53KMT2A
SCHEMBL665007 0.67 PARK7 (0.48) KLKB1PARK7ALDH1A1TP53HPGD
SCHEMBL666281 0.67 PARK7 (0.55) KLKB1PARK7MAOBMEN1NPC1

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 KLKB1 61/4885PARK7 3384/4885MAOB 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.