SCHEMBL3706505

SCHEMBL3706505

CC(C)(C)c1c(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nn2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.43
KCNQ2 O43526 13/20 0.43
HDAC6 Q9UBN7 3/20 0.37
CNR2 P34972 2/20 0.35
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3706506 1.00 KCNQ3 (0.43) KCNQ3KCNQ2HDAC6CNR2EPHX2
SCHEMBL3713577 0.83 KCNQ3 (0.45) KCNQ3KCNQ2MEN1ALDH1A1HPGD
SCHEMBL3713581 0.83 KCNQ3 (0.45) KCNQ3KCNQ2MEN1ALDH1A1HPGD
SCHEMBL3704493 0.82 KCNQ3 (0.43) KCNQ3KCNQ2MEN1ALDH1A1HPGD
SCHEMBL3704492 0.82 KCNQ3 (0.43) KCNQ3KCNQ2MEN1ALDH1A1HPGD
SCHEMBL3705767 0.80 ALDH1A1 (0.45) KCNQ3KCNQ2ALDH1A1HPGD
SCHEMBL3707697 0.79 KCNQ3 (0.69) KCNQ3KCNQ2CNR2EPHX2
SCHEMBL3707698 0.79 KCNQ3 (0.69) KCNQ3KCNQ2CNR2EPHX2
SCHEMBL3713625 0.79 KCNQ3 (0.64) KCNQ3KCNQ2EPHX2HPGD
SCHEMBL3701258 0.78 KCNQ3 (0.66) KCNQ3KCNQ2EPHX2MEN1HPGD

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-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US claimed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US claimed
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 KCNQ3 4/4885KCNQ2 2/4885HDAC6 981/4885

“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.