SCHEMBL3714832

SCHEMBL3714832

Cc1ccc(-c2c(NC(=O)CCC3CCCCC3)nn3c(C)ccnc23)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 14/20 0.61
KCNQ2 O43526 14/20 0.61
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.40
LDLR P01130 3/20 0.40

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
SCHEMBL3702226 0.93 KCNQ3 (0.63) KCNQ3KCNQ2MEN1NPC1TP53
SCHEMBL3698659 0.86 KCNQ3 (0.78) KCNQ3KCNQ2MEN1NPC1TP53
SCHEMBL3710284 0.85 KCNQ3 (0.70) KCNQ3KCNQ2MEN1NPC1TP53
SCHEMBL3709362 0.84 KCNQ3 (0.59) KCNQ3KCNQ2MEN1NPC1TP53
SCHEMBL3695312 0.82 KCNQ3 (0.80) KCNQ3KCNQ2MEN1NPC1TP53
SCHEMBL3707943 0.79 KCNQ3 (0.43) KCNQ3KCNQ2NPC1TP53RAB9A
SCHEMBL3703651 0.78 NPC1 (0.50) KCNQ3KCNQ2MEN1NPC1TP53
SCHEMBL3700117 0.78 KCNQ3 (0.79) KCNQ3KCNQ2MEN1NPC1TP53
SCHEMBL3700048 0.77 KCNQ3 (0.75) KCNQ3KCNQ2ALDH1A1
SCHEMBL3702142 0.73 KCNQ3 (0.76) KCNQ3KCNQ2MEN1NPC1TP53

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 2/4885MEN1 1516/4885

“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.