SCHEMBL3702142

SCHEMBL3702142

Cc1cc(C)n2nc(NC(=O)CCC3CCCC3)c(-c3ccccc3)c2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 10/20 0.76
KCNQ2 O43526 10/20 0.76
ALDH1A1 P00352 5/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 4/20 0.45
TP53 P04637 2/20 0.44
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL3700117 0.91 KCNQ3 (0.79) KCNQ3KCNQ2ALDH1A1MEN1KMT2A
SCHEMBL3704938 0.89 KCNQ3 (0.74) KCNQ3KCNQ2ALDH1A1HTTMEN1
SCHEMBL3703612 0.89 KCNQ3 (0.77) KCNQ3KCNQ2POLBKDM4E
SCHEMBL3695312 0.86 KCNQ3 (0.80) KCNQ3KCNQ2ALDH1A1HTTMEN1
SCHEMBL3700048 0.82 KCNQ3 (0.75) KCNQ3KCNQ2ALDH1A1POLB
SCHEMBL3709287 0.81 KCNQ3 (0.63) KCNQ3KCNQ2ALDH1A1HTTMEN1
SCHEMBL3697382 0.80 KCNQ3 (0.75) KCNQ3KCNQ2HTTSMN1; SMN2HSD17B10
SCHEMBL3704032 0.80 KCNQ3 (0.77) KCNQ3KCNQ2ALDH1A1MEN1KMT2A
SCHEMBL3699190 0.80 KCNQ3 (0.76) KCNQ3KCNQ2HTTMEN1KMT2A
SCHEMBL3705539 0.80 KCNQ3 (0.73) KCNQ3KCNQ2

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.