SCHEMBL3698581

SCHEMBL3698581

O=C(CCc1ccccc1)Nc1nn2cccnc2c1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.67
KCNQ2 O43526 13/20 0.67
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3700928 0.85 KCNQ3 (0.72) KCNQ3KCNQ2RAB9A
SCHEMBL3712278 0.82 KCNQ3 (0.49) KCNQ3KCNQ2MEN1KMT2ALMNA
SCHEMBL3700529 0.81 KCNQ3 (0.58) KCNQ3KCNQ2MEN1KMT2AALDH1A1
SCHEMBL3704730 0.81 KCNQ3 (1.00) KCNQ3KCNQ2MEN1KMT2AHTT
SCHEMBL3703628 0.80 KCNQ3 (0.48) KCNQ3KCNQ2MEN1KMT2ALMNA
SCHEMBL3700376 0.78 KCNQ2 (0.55) KCNQ3KCNQ2MEN1KMT2AMAPT
SCHEMBL3705746 0.74 KCNQ3 (0.64) KCNQ3KCNQ2MEN1KMT2ALMNA
SCHEMBL3705629 0.73 KCNQ3 (0.55) KCNQ3KCNQ2KMT2ANPC1RAB9A
SCHEMBL3704262 0.73 KCNQ3 (0.56) KCNQ3KCNQ2KMT2AALDH1A1NPC1
SCHEMBL3702539 0.73 KCNQ3 (0.52) KCNQ3KCNQ2KMT2AALDH1A1

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.