SCHEMBL3586437

SCHEMBL3586437

C=Cc1cnc2cc(NC(=O)OCc3ccccc3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ROCK2 O75116 3/20 0.47
BTK Q06187 1/20 0.46
ENPP2 Q13822 2/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
SCD O00767 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TGM2 P21980 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
SCHEMBL3584316 0.90 MGLL (0.51) MGLLPOLBMAPTTP53ALDH1A1
SCHEMBL3586214 0.84 MGLL (0.52) MGLLPOLBMAPTTP53ALDH1A1
SCHEMBL3580828 0.84 CYSLTR1 (0.54) MGLLPOLBMAPTTP53ALDH1A1
SCHEMBL3585065 0.83 MGLL (0.48) MGLLPOLBMAPTTP53ALDH1A1
SCHEMBL5030037 0.82 MGLL (0.50) MGLLPOLBMAPTTP53ALDH1A1
SCHEMBL3583756 0.82 MGLL (0.47) MGLLPOLBMAPTTP53ALDH1A1
SCHEMBL3589284 0.81 MGLL (0.49) MGLLPOLBMAPTTP53ALDH1A1
SCHEMBL3584621 0.81 MAOB (0.49) MGLLPOLBMAPTTP53ALDH1A1
SCHEMBL28495228 0.77 KDR (0.59) MGLLPOLBMAPTALDH1A1NPC1
SCHEMBL3581766 0.77 POLB (0.53) MGLLPOLBMAPTTP53ALDH1A1

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-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 1242/4885POLB 4421/4885MAPT 3251/4885

“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.