SCHEMBL3704730

SCHEMBL3704730

O=C(CCC1CCCCC1)Nc1nn2cccnc2c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 14/20 1.00
KCNQ2 O43526 14/20 1.00
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL3703709 0.91 KCNQ3 (0.84) KCNQ3KCNQ2ALDH1A1MEN1KMT2A
SCHEMBL3704312 0.91 KCNQ3 (0.98) KCNQ3KCNQ2ALDH1A1
SCHEMBL3714782 0.90 KCNQ3 (0.82) KCNQ3KCNQ2ALDH1A1MEN1KMT2A
SCHEMBL3707486 0.90 KCNQ3 (1.00) KCNQ3KCNQ2ALDH1A1
SCHEMBL3710458 0.89 KCNQ3 (0.80) KCNQ3KCNQ2ALDH1A1MEN1KMT2A
SCHEMBL3695317 0.88 KCNQ3 (1.00) KCNQ3KCNQ2ALDH1A1MEN1KMT2A
SCHEMBL3706670 0.88 KCNQ3 (0.78) KCNQ3KCNQ2ALDH1A1MEN1KMT2A
SCHEMBL3701791 0.88 KCNQ3 (0.81) KCNQ3KCNQ2ALDH1A1MEN1KMT2A
SCHEMBL3698128 0.86 KCNQ3 (1.00) KCNQ3KCNQ2ALDH1A1HTTNPSR1
SCHEMBL3698659 0.83 KCNQ3 (0.78) KCNQ3KCNQ2MEN1KMT2ANPSR1

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 2/4885ALDH1A1 1773/4885

“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.