SCHEMBL3593609

SCHEMBL3593609

Cc1ccc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3C)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.60
RAB9A P51151 8/20 0.60
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 2/20 0.49
PIR O00625 4/20 0.44
HSF1 Q00613 3/20 0.44
BRAF P15056 1/20 0.44
KDM4E B2RXH2 1/20 0.43
KDR P35968 2/20 0.42
MCHR1 Q99705 1/20 0.39
DHODH Q02127 1/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL3593614 1.00 NPC1 (0.60) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3596342 0.86 NPC1 (0.55) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3596337 0.86 NPC1 (0.55) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3577748 0.83 SMN1; SMN2 (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3577744 0.83 SMN1; SMN2 (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3586564 0.82 TRPV1 (0.51) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3586560 0.82 TRPV1 (0.51) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13544280 0.81 MEN1 (0.42) NPC1RAB9AMEN1KMT2ABRAF
SCHEMBL3587387 0.81 BRAF (0.40) NPC1RAB9AMEN1KMT2ABRAF
SCHEMBL3587385 0.81 BRAF (0.40) NPC1RAB9AMEN1KMT2ABRAF

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 8 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
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-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

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 NPC1 879/4885RAB9A 2452/4885MEN1 4500/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885MEN1 4561/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885MEN1 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.