SCHEMBL3596337

SCHEMBL3596337

Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.55
RAB9A P51151 8/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
HTT P42858 1/20 0.50
BRAF P15056 1/20 0.50
PABPC1 P11940 1/20 0.50
MAPT P10636 1/20 0.49
NOTUM Q6P988 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HSF1 Q00613 1/20 0.46
BLK P51451 1/20 0.44
BTK Q06187 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL3596342 1.00 NPC1 (0.55) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3586564 0.92 TRPV1 (0.51) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3586560 0.92 TRPV1 (0.51) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3577744 0.88 SMN1; SMN2 (0.52) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3577748 0.88 SMN1; SMN2 (0.52) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3592868 0.87 KDR (0.56) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3592870 0.87 KDR (0.56) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3593609 0.86 NPC1 (0.60) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3593614 0.86 NPC1 (0.60) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3585395 0.85 ACP1 (0.43) NPC1RAB9APOLBMAPTCASP3

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 9 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
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 NPC1 879/4885RAB9A 2452/4885POLB 4421/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885POLB 4456/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885POLB 4456/4885

“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.