SCHEMBL3704476

SCHEMBL3704476

O=C(CCC1CCCC1)Nc1nn2cccnc2c1/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.73
KCNQ2 O43526 13/20 0.73
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3704479 1.00 KCNQ3 (0.73) KCNQ3KCNQ2HPGDNPC1ALDH1A1
SCHEMBL3695317 0.84 KCNQ3 (1.00) KCNQ3KCNQ2ALDH1A1KMT2AMEN1
SCHEMBL3706798 0.83 KCNQ3 (0.72) KCNQ3KCNQ2NPC1RAB9A
SCHEMBL3706796 0.83 KCNQ3 (0.72) KCNQ3KCNQ2NPC1RAB9A
SCHEMBL3707951 0.77 KCNQ3 (0.67) KCNQ3KCNQ2HPGDNPC1ALDH1A1
SCHEMBL3706826 0.77 KCNQ3 (0.69) KCNQ3KCNQ2HPGDNPC1ALDH1A1
SCHEMBL3697377 0.76 KCNQ3 (0.68) KCNQ3KCNQ2HPGDNPC1ALDH1A1
SCHEMBL3707486 0.75 KCNQ3 (1.00) KCNQ3KCNQ2ALDH1A1TSHR
SCHEMBL3704730 0.74 KCNQ3 (1.00) KCNQ3KCNQ2HPGDNPC1ALDH1A1
SCHEMBL3704312 0.74 KCNQ3 (0.98) KCNQ3KCNQ2ALDH1A1TSHR

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 2/4885HPGD 2576/4885

“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.