SCHEMBL3587385

SCHEMBL3587385

Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cc(C(=O)O)cnc2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LRRK2 Q5S007 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
HTR2C P28335 4/20 0.37
MCHR1 Q99705 4/20 0.37
P4HTM Q9NXG6 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SORT1 Q99523 2/20 0.36
MGAM O43451 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3587387 1.00 BRAF (0.40) BRAFNPC1RAB9ALRRK2TRPV1
SCHEMBL13544322 0.93 BRAF (0.40) BRAFNPC1RAB9ALRRK2TRPV1
SCHEMBL3591134 0.91 BRAF (0.39) BRAFNPC1RAB9ALRRK2MCHR1
SCHEMBL3591135 0.91 BRAF (0.39) BRAFNPC1RAB9ALRRK2MCHR1
SCHEMBL13544280 0.87 MEN1 (0.42) BRAFNPC1RAB9ALRRK2TRPV1
SCHEMBL3590895 0.86 TRPV1 (0.43) NPC1RAB9ALRRK2TRPV1HTR2C
SCHEMBL3582214 0.86 NPC1 (0.38) BRAFNPC1RAB9ALRRK2TRPV1
SCHEMBL3582208 0.86 NPC1 (0.38) BRAFNPC1RAB9ALRRK2TRPV1
SCHEMBL13544300 0.86 NPC1 (0.38) BRAFNPC1RAB9ALRRK2TRPV1
SCHEMBL13544279 0.86 MCHR1 (0.42) NPC1RAB9ALRRK2TRPV1HTR2C

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
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-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-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
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 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 (1 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 BRAF 2721/4885NPC1 879/4885RAB9A 2452/4885

“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.