SCHEMBL3704649

SCHEMBL3704649

COc1ccc(CC(=O)Nc2nn3cc(C)cnc3c2-c2cccc(Cl)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.50
KCNQ2 O43526 3/20 0.50
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.45
P2RY14 Q15391 1/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
MAPK10 P53779 1/20 0.44
PDE2A O00408 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
CACNA1H O95180 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
SCHEMBL3696279 0.83 KCNQ3 (0.52) KCNQ3KCNQ2ALDH1A1KMT2AL3MBTL1
SCHEMBL3696361 0.82 KCNQ3 (0.73) KCNQ3KCNQ2KDM4EALDH1A1KMT2A
SCHEMBL3698911 0.81 KCNQ3 (0.56) KCNQ3KCNQ2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3706797 0.80 KCNQ3 (0.51) KCNQ3KCNQ2KDM4EALDH1A1KMT2A
SCHEMBL3708663 0.79 KCNQ2 (0.52) KCNQ3KCNQ2ALDH1A1KMT2AMEN1
SCHEMBL3699241 0.78 KCNQ3 (0.51) KCNQ3KCNQ2ALDH1A1PDE2APOLB
SCHEMBL3695326 0.78 KCNQ3 (0.57) KCNQ3KCNQ2ALDH1A1SMN1; SMN2MAPT
SCHEMBL3703621 0.77 KCNQ3 (0.58) KCNQ3KCNQ2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3698068 0.76 KCNQ3 (0.49) KCNQ3KCNQ2KMT2ASMN1; SMN2MEN1
SCHEMBL3702778 0.76 PDE2A (0.48) KCNQ3KCNQ2KDM4EALDH1A1KMT2A

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 2/4885KDM4E 648/4885

“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.