SCHEMBL666334

SCHEMBL666334

CN(C)c1ccc(C(=O)NC2=CC(=O)C3OC3C2=O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.47
MAOB P27338 4/20 0.38
MAOA P21397 3/20 0.38
PTGS2 P35354 1/20 0.35
MAPT P10636 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL13014189 0.80 LMNA (0.47) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5474018 0.80 LMNA (0.47) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL115015 0.79 P2RX1 (0.44) MEN1KMT2ANPC1RAB9A
SCHEMBL169409 0.77 PARK7 (0.48) KLKB1MAOBMAOAPTGS2MAPT
Trifluoroacetic Acid SCHEMBL168257 0.72 PARK7 (0.43) KLKB1MAOBMAOAMAPTMEN1
SCHEMBL13014489 0.71 KMT2A (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL353219 0.71 PRKCI (0.35) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL168258 0.71 KLKB1 (0.39) KLKB1MAOBMAOAMAPTMEN1
SCHEMBL22939649 0.65 ALDH1A1 (0.64) KLKB1MAOBMAOAMAPTMEN1
SCHEMBL1317676 0.64 ACLY (0.54) KLKB1MCL1

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 KLKB1 61/4885MAOB 382/4885MAOA 1137/4885

“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.