SCHEMBL3588779

SCHEMBL3588779

Cc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cccc2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.56
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
MAPT P10636 6/20 0.53
TP53 P04637 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
PLEC Q15149 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL3588775 1.00 KDR (0.56) KDRRAB9ANPC1CASP3SENP8
SCHEMBL3578893 0.87 KDR (0.41) KDRRAB9ANPC1CASP3SENP8
SCHEMBL3578889 0.87 KDR (0.41) KDRRAB9ANPC1CASP3SENP8
SCHEMBL3588702 0.85 PABPC1 (0.52) MAPTL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL3588698 0.85 PABPC1 (0.52) MAPTL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL13544228 0.83 ALDH1A1 (0.52) RAB9ANPC1MAPTTP53MEN1
SCHEMBL3585073 0.82 TRPV1 (0.50) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3585077 0.82 TRPV1 (0.50) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3590782 0.82 TRPV1 (0.41) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL3590784 0.82 TRPV1 (0.41) RAB9ANPC1TP53MEN1KMT2A

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 7 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-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 2563/4885RAB9A 2452/4885NPC1 879/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 KDR 2423/4885RAB9A 2274/4885NPC1 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.