SCHEMBL3706348

SCHEMBL3706348

Cc1cnc2c(-c3ccc(C(F)(F)F)cc3)c(NC(=O)CCc3ccccc3)nn2c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.53
KCNQ3 O43525 7/20 0.52
KCNQ2 O43526 7/20 0.52
NR2E1 Q9Y466 2/20 0.46
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
TP53 P04637 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
NR3C1 P04150 1/20 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
SCHEMBL3701006 0.83 KCNQ3 (0.57) MLYCDKCNQ3KCNQ2POLBHCAR2
SCHEMBL3700999 0.83 KCNQ3 (0.54) MLYCDKCNQ3KCNQ2POLBTP53
SCHEMBL3706860 0.80 MAPK14 (0.56) KCNQ3KCNQ2GAA
SCHEMBL3705104 0.77 KCNQ3 (0.71) KCNQ3KCNQ2POLBGAA
SCHEMBL3707305 0.75 KCNQ3 (0.70) KCNQ3KCNQ2
SCHEMBL3696279 0.74 KCNQ3 (0.52) KCNQ3KCNQ2POLB
SCHEMBL3712494 0.73 KCNQ3 (0.81) KCNQ3KCNQ2
SCHEMBL3698581 0.73 KCNQ3 (0.67) KCNQ3KCNQ2GAAHCAR2
SCHEMBL3707506 0.72 KCNQ3 (0.84) KCNQ3KCNQ2
SCHEMBL3699241 0.71 KCNQ3 (0.51) KCNQ3KCNQ2POLBTP53

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 MLYCD 2640/4885KCNQ3 4/4885KCNQ2 2/4885

“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.