SCHEMBL3586560

SCHEMBL3586560

Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NOTUM Q6P988 1/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
POLB P06746 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
P2RY14 Q15391 2/20 0.44
BRAF P15056 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
HTT P42858 1/20 0.41
CYP11B2 P19099 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
PABPC1 P11940 1/20 0.40

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
SCHEMBL3586564 1.00 TRPV1 (0.51) TRPV1MEN1KMT2ANOTUMNPC1
SCHEMBL3596337 0.92 NPC1 (0.55) MEN1KMT2ANOTUMNPC1RAB9A
SCHEMBL3596342 0.92 NPC1 (0.55) MEN1KMT2ANOTUMNPC1RAB9A
SCHEMBL3577744 0.88 SMN1; SMN2 (0.52) MEN1KMT2ANOTUMNPC1RAB9A
SCHEMBL3577748 0.88 SMN1; SMN2 (0.52) MEN1KMT2ANOTUMNPC1RAB9A
SCHEMBL3587066 0.86 MALT1 (0.41) MEN1KMT2ANPC1RAB9ABRAF
SCHEMBL3587067 0.86 MALT1 (0.41) MEN1KMT2ANPC1RAB9ABRAF
SCHEMBL3587387 0.83 BRAF (0.40) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL13544280 0.83 MEN1 (0.42) TRPV1MEN1KMT2ANPC1RAB9A
SCHEMBL3587385 0.83 BRAF (0.40) TRPV1MEN1KMT2ANPC1RAB9A

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 TRPV1 1/4885MEN1 4500/4885KMT2A 4280/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TRPV1 1/4885MEN1 4561/4885KMT2A 4331/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TRPV1 1/4885MEN1 4561/4885KMT2A 4331/4885

“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.