SCHEMBL3588698

SCHEMBL3588698

Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cccc2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 4/20 0.52
EIF4H Q15056 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPY5R Q15761 1/20 0.47
CLK1 P49759 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL3588702 1.00 PABPC1 (0.52) PABPC1EIF4HMEN1KMT2AMAPT
SCHEMBL13544259 0.86 RAF1 (0.40) PABPC1EIF4HMEN1KMT2AALDH1A1
SCHEMBL3588779 0.85 KDR (0.56) MEN1KMT2AMAPTALDH1A1HDAC6
SCHEMBL3588775 0.85 KDR (0.56) MEN1KMT2AMAPTALDH1A1HDAC6
SCHEMBL3585389 0.84 RAF1 (0.40) PABPC1EIF4HMEN1KMT2AMAPT
SCHEMBL3585387 0.84 RAF1 (0.40) PABPC1EIF4HMEN1KMT2AMAPT
SCHEMBL13544228 0.84 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL3587066 0.82 MALT1 (0.41) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL3587067 0.82 MALT1 (0.41) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL3590782 0.81 TRPV1 (0.41) MEN1KMT2AALDH1A1CYP3A4SMN1; SMN2

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 11 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
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 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-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
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 PABPC1 3457/4885EIF4H 3116/4885MEN1 4500/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 PABPC1 3597/4885EIF4H 3191/4885MEN1 4561/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 PABPC1 3597/4885EIF4H 3191/4885MEN1 4561/4885

“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.