SCHEMBL14082124

SCHEMBL14082124

COc1cccc(CNC(=O)c2ccc(-c3ncccc3Cl)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.68
ROCK2 O75116 4/20 0.68
CYP3A4 P08684 3/20 0.68
CYP2D6 P10635 3/20 0.68
CYP2C9 P11712 3/20 0.68
PRKACA P17612 2/20 0.68
PRKX P51817 2/20 0.68
PRKCQ Q04759 2/20 0.68
GSK3A P49840 1/20 0.68
GSK3B P49841 1/20 0.68
CLK4 Q9HAZ1 1/20 0.68
MMP13 P45452 3/20 0.59
GRK5 P34947 1/20 0.59
AURKA O14965 1/20 0.57
NAMPT P43490 1/20 0.57
HPGD P15428 2/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.54
GAA P10253 2/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL14082847 0.92 ROCK1 (0.55) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL14083039 0.88 HCRTR1 (0.54) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL14082827 0.86 ROCK1 (0.62) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL14082132 0.85 SMN1; SMN2 (0.65) LMNAALDH1A1MAPT
SCHEMBL14082771 0.85 KMT2A (0.56) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL14082803 0.85 ROCK2 (0.62) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL14082133 0.84 TRPV1 (0.51) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL14082848 0.84 SMN1; SMN2 (0.54) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL14082127 0.83 SMN1; SMN2 (0.51) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL14082111 0.83 MAPK1 (0.67) ROCK1ROCK2PRKACAPRKXGSK3A

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 4 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-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

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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 ROCK1 3978/4885ROCK2 3870/4885CYP3A4 3342/4885

“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.