SCHEMBL3587398

SCHEMBL3587398

CC(O)c1cnc2cc(NC(=O)OCc3ccccc3)cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MGLL Q99685 2/20 0.48
BTK Q06187 4/20 0.46
ROCK2 O75116 1/20 0.46
MAPK1 P28482 1/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ENPP2 Q13822 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3585065 0.88 MGLL (0.48) POLBMGLLROCK2MAPK1TP53
SCHEMBL3584227 0.81 POLB (0.54) POLBMGLLBTKROCK2TP53
SCHEMBL3581766 0.80 POLB (0.53) POLBMGLLBTKROCK2TP53
SCHEMBL31725228 0.79 MAPK1 (0.50) POLBMGLLROCK2MAPK1NPC1
SCHEMBL28495228 0.78 KDR (0.59) POLBMGLLMAPTNPC1RAB9A
SCHEMBL3583756 0.76 MGLL (0.47) POLBMGLLROCK2TP53MAPT
SCHEMBL112442 0.74 MGLL (0.55) POLBMGLLBTKROCK2TP53
SCHEMBL30262435 0.73 POLB (0.57) POLBMGLLBTKROCK2TP53
SCHEMBL29183050 0.73 POLB (0.57) POLBMGLLBTKROCK2TP53
SCHEMBL1040107 0.73 POLB (0.59) POLBMGLLBTKROCK2TP53

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 POLB 4421/4885MGLL 1242/4885BTK 3777/4885

“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.