SCHEMBL3585387

SCHEMBL3585387

Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cccc2c(Cl)nccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 4/20 0.38
MAPT P10636 1/20 0.37
PABPC1 P11940 2/20 0.37
EIF4H Q15056 2/20 0.37
PDGFRB P09619 1/20 0.37
BRAF P15056 1/20 0.37
PDGFRA P16234 1/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3585389 1.00 RAF1 (0.40) RAF1NPC1RAB9AKMT2AMAPT
SCHEMBL13544259 0.90 RAF1 (0.40) RAF1NPC1RAB9AKMT2APABPC1
SCHEMBL3588702 0.84 PABPC1 (0.52) KMT2AMAPTPABPC1EIF4HMEN1
SCHEMBL3588698 0.84 PABPC1 (0.52) KMT2AMAPTPABPC1EIF4HMEN1
SCHEMBL13544228 0.83 ALDH1A1 (0.52) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL3585077 0.82 TRPV1 (0.50) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL3585073 0.82 TRPV1 (0.50) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL13544762 0.81 KMT2A (0.51) RAF1NPC1RAB9AKMT2AMAPT
SCHEMBL3590782 0.80 TRPV1 (0.41) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3590784 0.80 TRPV1 (0.41) NPC1RAB9AKMT2AMEN1ALDH1A1

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 10 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
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
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
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
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US 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 (3 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 RAF1 1192/4885NPC1 879/4885RAB9A 2452/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 RAF1 1274/4885NPC1 959/4885RAB9A 2274/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 RAF1 1274/4885NPC1 959/4885RAB9A 2274/4885

“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.