SCHEMBL3591135

SCHEMBL3591135

COC(=O)c1cnc2cc(NC(=O)c3ccc(C=CC(F)(F)F)cc3C)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
LRRK2 Q5S007 1/20 0.38
HPGDS O60760 4/20 0.38
RAB9A P51151 2/20 0.38
PDGFRB P09619 2/20 0.38
KDR P35968 2/20 0.38
ABL1 P00519 3/20 0.38
SRC P12931 1/20 0.38
NPC1 O15118 1/20 0.37
PTPN11 Q06124 1/20 0.36
MCHR1 Q99705 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 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
SCHEMBL3591134 1.00 BRAF (0.39) BRAFEGLN1LRRK2HPGDSRAB9A
SCHEMBL3587385 0.91 BRAF (0.40) BRAFLRRK2RAB9ANPC1MCHR1
SCHEMBL13544322 0.91 BRAF (0.40) BRAFLRRK2RAB9AKDRNPC1
SCHEMBL3587387 0.91 BRAF (0.40) BRAFLRRK2RAB9ANPC1MCHR1
SCHEMBL13544279 0.86 MCHR1 (0.42) LRRK2RAB9ANPC1MCHR1
SCHEMBL13544280 0.85 MEN1 (0.42) BRAFLRRK2RAB9AKDRNPC1
SCHEMBL3590895 0.84 TRPV1 (0.43) LRRK2RAB9AKDRNPC1MCHR1
SCHEMBL13544300 0.84 NPC1 (0.38) BRAFLRRK2RAB9AKDRNPC1
SCHEMBL3582214 0.84 NPC1 (0.38) BRAFLRRK2RAB9AKDRNPC1
SCHEMBL3582208 0.84 NPC1 (0.38) BRAFLRRK2RAB9AKDRNPC1

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 3 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 disclosed
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 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 2721/4885EGLN1 2285/4885LRRK2 2222/4885

“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.