SCHEMBL3700728

SCHEMBL3700728

CC(C)(C)c1c(NC(=O)Cc2ccc(Cl)cc2)nn2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
KCNQ2 O43526 5/20 0.48
KCNQ3 O43525 4/20 0.48
ALDH1A1 P00352 1/20 0.47
CACNA1G O43497 2/20 0.44
CACNA1H O95180 2/20 0.44
CACNA1I Q9P0X4 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FFAR2 O15552 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL3706896 0.90 KCNQ3 (0.51) KMT2AKCNQ2KCNQ3ALDH1A1CACNA1G
SCHEMBL3699188 0.89 KCNQ3 (0.47) KMT2AKCNQ2KCNQ3CACNA1GCACNA1H
SCHEMBL3704290 0.89 KCNQ3 (0.61) KMT2AKCNQ2KCNQ3CACNA1HSMN1; SMN2
SCHEMBL3707456 0.89 KDM4E (0.49) KCNQ2KCNQ3SMN1; SMN2LMNAKDM4E
SCHEMBL3702409 0.87 KCNQ3 (0.63) KCNQ2KCNQ3P2RX7
SCHEMBL3699193 0.87 KCNQ2 (0.50) KMT2AKCNQ2KCNQ3ALDH1A1CACNA1G
SCHEMBL3699145 0.85 KCNQ3 (0.48) KCNQ2KCNQ3SMN1; SMN2
SCHEMBL3699116 0.83 KCNQ3 (0.53) KMT2AKCNQ2KCNQ3
SCHEMBL3703349 0.81 KCNQ3 (0.65) KCNQ2KCNQ3ALDH1A1NPC1RAB9A
SCHEMBL3712278 0.79 KCNQ3 (0.49) KMT2AKCNQ2KCNQ3ALDH1A1NPC1

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 KMT2A 572/4885KCNQ2 2/4885KCNQ3 4/4885

“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.