SCHEMBL4812253

SCHEMBL4812253

O=C(O)c1ccc(-c2ncccc2Cl)cc1NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.57
CDC7 O00311 2/20 0.53
ROCK2 O75116 1/20 0.53
MAP4K4 O95819 1/20 0.53
GSK3B P49841 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
KDM4C Q9H3R0 3/20 0.50
KDM4E B2RXH2 3/20 0.50
KDM6B O15054 1/20 0.50
KDM4A O75164 1/20 0.50
KDM4D Q6B0I6 1/20 0.50
CISD1 Q9NZ45 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
ASPH Q12797 2/20 0.48
KDM8 Q8N371 2/20 0.48
RIOX2 Q8IUF8 1/20 0.48
RPS6KB1 P23443 2/20 0.47
TRPM4 Q8TD43 2/20 0.45
MAPK8 P45983 1/20 0.44

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
SCHEMBL14083152 0.88 KDR (0.49) ACLYCDC7ROCK2MAP4K4GSK3B
SCHEMBL14083159 0.85 KDR (0.53) ACLYCDC7ROCK2MAP4K4GSK3B
SCHEMBL14083177 0.83 KCNQ3 (0.47) CDC7ROCK2MAP4K4GSK3BCLK4
SCHEMBL14083168 0.82 KDR (0.48) CDC7ROCK2MAP4K4GSK3BCLK4
SCHEMBL4805652 0.82 ACLY (0.47) ACLYKDM4CKDM4ETRPM4
SCHEMBL14083167 0.81 TRPV1 (0.62)
SCHEMBL14083162 0.81 TRPV1 (0.62)
SCHEMBL14082109 0.81 SMN1; SMN2 (0.45) ACLYKDM4ETRPM4ALDH1A1HSD17B10
SCHEMBL14083154 0.81 KDR (0.45) CDC7ROCK2MAP4K4GSK3BCLK4
SCHEMBL14253096 0.80 KDR (0.44) CDC7ROCK2MAP4K4GSK3BCLK4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 US disclosed
EP-1685109-A2 AMIDE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF Renovis, Inc. (US) 2006-08-02 EP disclosed
US-20050197364-A1 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. 2005-09-08 US disclosed
US-20050192293-A1 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. 2005-09-01 US disclosed
WO-2005034870-A2 AMIDE COMPOUNDS AND ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2005-04-21 WO disclosed
WO-2005032493-A2 AMIDE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2005-04-14 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 (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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 ACLY 758/4885CDC7 4450/4885ROCK2 3870/4885
US-20050197364-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 ACLY 758/4885CDC7 4450/4885ROCK2 3870/4885
US-20050192293-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 ACLY 758/4885CDC7 4450/4885ROCK2 3870/4885

“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.