SCHEMBL3712424

SCHEMBL3712424

CC(C)(C)c1c(NC(=O)CC(C)(C)c2ccccc2)nn2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 14/20 0.55
KCNQ2 O43526 14/20 0.55
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 1/20 0.38
APOBEC3A P31941 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3703349 0.87 KCNQ3 (0.65) KCNQ3KCNQ2ALDH1A1KDM4ENPC1
SCHEMBL3706896 0.84 KCNQ3 (0.51) KCNQ3KCNQ2HTR6ALDH1A1APOBEC3A
SCHEMBL3712278 0.82 KCNQ3 (0.49) KCNQ3KCNQ2ALDH1A1APOBEC3AMEN1
SCHEMBL3703448 0.81 KCNQ3 (0.65) KCNQ3KCNQ2ALDH1A1APOBEC3A
SCHEMBL3710242 0.79 KCNQ3 (0.55) KCNQ3KCNQ2HTR6NPC1RAB9A
SCHEMBL3707617 0.79 KCNQ3 (0.64) KCNQ3KCNQ2ALDH1A1
SCHEMBL3702409 0.78 KCNQ3 (0.63) KCNQ3KCNQ2
SCHEMBL3704290 0.77 KCNQ3 (0.61) KCNQ3KCNQ2HTR6MEN1KMT2A
SCHEMBL3699145 0.77 KCNQ3 (0.48) KCNQ3KCNQ2SMN1; SMN2
SCHEMBL3700728 0.77 KMT2A (0.49) KCNQ3KCNQ2ALDH1A1KMT2AKDM4E

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 2/4885HTR6 657/4885

“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.