SCHEMBL3590259

SCHEMBL3590259

Cc1cc(C#CC(C)(C)C)ccc1C(=O)Nc1cnc2[nH]c(CO)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.38
SRC P12931 2/20 0.38
TRPV1 Q8NER1 4/20 0.38
LRRK2 Q5S007 1/20 0.38
KDR P35968 3/20 0.36
EGLN1 Q9GZT9 1/20 0.34
TNKS O95271 1/20 0.34
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KIT P10721 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
KLF5 Q13887 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL13544321 0.93 ABL1 (0.38) ABL1SRCTRPV1LRRK2KDR
SCHEMBL13763402 0.84 TRPV1 (0.46) ABL1SRCTRPV1KDR
SCHEMBL3591762 0.80 KDR (0.43) TRPV1KDRMAPTKDM4ENPC1
SCHEMBL3584801 0.80 KIT (0.50) ABL1SRCKITPIK3CAMTOR
SCHEMBL3582343 0.79 KDR (0.57) TRPV1KDRMAPTKDM4ENPC1
SCHEMBL13544276 0.77 KDR (0.43) ABL1SRCTRPV1KDRMAPT
SCHEMBL3585323 0.76 LRRK2 (0.45) TRPV1LRRK2MAPTRXFP1KDM4E
SCHEMBL3582961 0.75 TRPV1 (0.69) TRPV1
SCHEMBL3588579 0.74 RAB9A (0.47) TRPV1LRRK2MAPTRXFP1KDM4E
SCHEMBL3586739 0.72 HSD11B1 (0.48) TRPV1LRRK2MAPTRXFP1KDM4E

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 5 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-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-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 (2 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 ABL1 3103/4885SRC 3118/4885TRPV1 1/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ABL1 3092/4885SRC 2802/4885TRPV1 1/4885

“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.