SCHEMBL3580828

SCHEMBL3580828

O=C(Nc1ccc2cc(C(=O)O)cnc2c1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 1/20 0.54
MGLL Q99685 2/20 0.52
POLB P06746 1/20 0.51
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MGAM O43451 1/20 0.50
ROCK2 O75116 3/20 0.49
ENPP2 Q13822 1/20 0.47
SCD O00767 1/20 0.46
DNMT1 P26358 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46

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
SCHEMBL3589284 0.90 MGLL (0.49) CYSLTR1MGLLPOLBTP53MAPT
SCHEMBL3586214 0.86 MGLL (0.52) CYSLTR1MGLLPOLBTP53MAPT
SCHEMBL3584316 0.85 MGLL (0.51) CYSLTR1MGLLPOLBTP53MAPT
SCHEMBL5030037 0.84 MGLL (0.50) CYSLTR1MGLLPOLBTP53MAPT
SCHEMBL3586437 0.84 MGLL (0.50) CYSLTR1MGLLPOLBTP53MAPT
SCHEMBL28804964 0.83 CYSLTR1 (0.62) CYSLTR1MGLLPOLBTP53MAPT
SCHEMBL29663530 0.83 CYSLTR1 (0.62) CYSLTR1MGLLPOLBTP53MAPT
SCHEMBL3585065 0.82 MGLL (0.48) CYSLTR1MGLLPOLBTP53MAPT
SCHEMBL3584621 0.82 MAOB (0.49) CYSLTR1MGLLPOLBTP53MAPT
SCHEMBL3583756 0.81 MGLL (0.47) CYSLTR1MGLLPOLBTP53MAPT

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 CYSLTR1 122/4885MGLL 1242/4885POLB 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.