SCHEMBL3585769

SCHEMBL3585769

Cc1cc(C=CC(C)(C)C)ccc1C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.57
TRPV1 Q8NER1 2/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
KDM4E B2RXH2 1/20 0.56
MITF O75030 1/20 0.56
XBP1 P17861 1/20 0.56
PAX8 Q06710 1/20 0.56
KLF5 Q13887 1/20 0.56
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
CASP1 P29466 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TMPRSS4 Q9NRS4 1/20 0.49
F12 P00748 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NOTUM Q6P988 1/20 0.47

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
SCHEMBL3585763 1.00 KDR (0.57) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL3592870 0.91 KDR (0.56) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL3592868 0.91 KDR (0.56) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL5284425 0.87 TRPV1 (0.71) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL5284418 0.87 TRPV1 (0.71) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL13544075 0.84 KDR (0.60) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL13544369 0.82 TRPV1 (0.78) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL3584854 0.82 KDR (0.55) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL3584857 0.82 KDR (0.55) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL3586656 0.79 KDR (0.51) KDRTRPV1NPC1RAB9AKDM4E

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 6 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 claimed
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 claimed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP claimed
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 claimed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO claimed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KDR 2563/4885TRPV1 1/4885NPC1 879/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 KDR 2423/4885TRPV1 1/4885NPC1 959/4885

“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.