SCHEMBL6416718

SCHEMBL6416718

CC(C)(C)NC(=O)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.53
KCNQ3 O43525 1/20 0.51
KCNQ2 O43526 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
POLB P06746 2/20 0.44
APEX1 P27695 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TAS1R2 Q8TE23 2/20 0.44
MAPT P10636 1/20 0.43
ANO1 Q5XXA6 4/20 0.43
PDE2A O00408 1/20 0.43
NOTUM Q6P988 1/20 0.42
IMPDH2 P12268 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL13701819 0.87 TAS1R3 (0.57) KCNQ3KCNQ2KCNE1KCNQ1POLB
SCHEMBL1224799 0.85 NPC1 (0.51) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL14214022 0.83 KIF11 (0.55) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6416168 0.83 CHRNA1 (0.57) KCNQ3KCNQ2HDAC1HDAC6POLB
SCHEMBL29620917 0.80 KCNQ3 (0.53) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL17596247 0.80 KCNQ3 (0.53) KIF11KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL10573092 0.79 KDR (0.50) HDAC1HDAC6POLBAPEX1MAPT
SCHEMBL6423147 0.79 POLB (0.48) HDAC1HDAC6POLBAPEX1MAPT
SCHEMBL6417276 0.79 POLB (0.57) KCNQ3KCNQ2KCNE1KCNQ1HDAC1
SCHEMBL20266816 0.78 KIF11 (0.50) KIF11KCNQ3KCNQ2KCNE1KCNQ1

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-6936736-B2 Amide derivative SUMITOMO MANUFACTURING COMPANY LIMITED (JP) 2005-08-30 US disclosed
US-20020147204-A1 Amide derivative SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2002-10-10 US disclosed
US-6384033-B1 DRUGS FOR VISION DEFECTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-05-07 US disclosed
EP-1034783-A1 AMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 EP 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-20020147204-A1 Amide derivative ALDH1A2, NR1H2, HDAC3 KIF11 2901/4885KCNQ3 2837/4885KCNQ2 2518/4885

“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.