SCHEMBL3589284

SCHEMBL3589284

COC(=O)c1cnc2cc(NC(=O)OCc3ccccc3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.49
HPGDS O60760 1/20 0.48
POLB P06746 1/20 0.48
MAOB P27338 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
ROCK2 O75116 3/20 0.47
ENPP2 Q13822 1/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SCD O00767 2/20 0.44

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
SCHEMBL3580828 0.90 CYSLTR1 (0.54) MGLLPOLBTP53MAPTNPC1
SCHEMBL3584316 0.84 MGLL (0.51) MGLLPOLBMAOBTP53MAPT
SCHEMBL3586214 0.83 MGLL (0.52) MGLLPOLBMAOBTP53MAPT
SCHEMBL3585065 0.82 MGLL (0.48) MGLLPOLBTP53MAPTNPC1
SCHEMBL3584621 0.82 MAOB (0.49) MGLLPOLBMAOBTP53MAPT
SCHEMBL5030037 0.81 MGLL (0.50) MGLLPOLBTP53MAPTNPC1
SCHEMBL3586437 0.81 MGLL (0.50) MGLLPOLBTP53MAPTNPC1
SCHEMBL18571617 0.81 MAOB (0.67) HPGDSMAOBCYSLTR1LMNAHPGD
SCHEMBL3583756 0.79 MGLL (0.47) MGLLPOLBTP53MAPTNPC1
SCHEMBL20474248 0.79 MAPT (0.59) HPGDSMAPTNPC1RAB9ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 MGLL 1242/4885HPGDS 427/4885POLB 4421/4885

“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.