SCHEMBL3713625

SCHEMBL3713625

CC(C)(C)c1c(NC(=O)CC2CCCC2)nn2cccnc12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 14/20 0.64
KCNQ2 O43526 14/20 0.64
EPHX2 P34913 2/20 0.42
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
ANO1 Q5XXA6 1/20 0.39

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
SCHEMBL3701258 0.99 KCNQ3 (0.66) KCNQ3KCNQ2EPHX2HPGDRECQL
SCHEMBL3707951 0.90 KCNQ3 (0.67) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3697377 0.89 KCNQ3 (0.68) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3703349 0.82 KCNQ3 (0.65) KCNQ3KCNQ2NPC1GAARAB9A
SCHEMBL3713577 0.82 KCNQ3 (0.45) KCNQ3KCNQ2RAB9ASMN1; SMN2HPGD
SCHEMBL3713581 0.82 KCNQ3 (0.45) KCNQ3KCNQ2RAB9ASMN1; SMN2HPGD
SCHEMBL3704952 0.81 KCNQ3 (0.48) KCNQ3KCNQ2ANO1
SCHEMBL3705767 0.81 ALDH1A1 (0.45) KCNQ3KCNQ2RAB9ASMN1; SMN2HPGD
SCHEMBL3701255 0.81 KCNQ3 (0.59) KCNQ3KCNQ2EPHX2NPC1GAA
SCHEMBL3704492 0.80 KCNQ3 (0.43) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2

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 6 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
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO 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
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO 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 2/4885EPHX2 3661/4885

“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.