SCHEMBL22637250

SCHEMBL22637250

NCc1nc(-c2ccnc(C(F)(F)F)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.49
▸ NOTUM Q6P988 2/20 0.49
▸ LOX P28300 1/20 0.48
▸ KCNQ1 P51787 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ KCNMB1 Q16558 1/20 0.44
▸ KCNT1 Q5JUK3 1/20 0.44
▸ KCNT2 Q6UVM3 1/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ HDAC6 Q9UBN7 6/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ S1PR1 P21453 6/20 0.42
▸ S1PR3 Q99500 3/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL15495457 0.86 KCNQ1 (0.47) NOTUMKCNQ1KCNH2CACNA1CSCN5A
SCHEMBL16364715 0.78 L3MBTL1 (0.54) NOTUMKCNQ1KCNH2CACNA1CSCN5A
SCHEMBL28710638 0.77 KCNT1 (0.56) NOTUMKCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22649328 0.77 KCNT1 (0.56) NOTUMKCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637731 0.76 KCNT1 (0.51) NOTUMKCNQ1KCNH2CACNA1CSCN5A
SCHEMBL29463512 0.76 KCNT1 (0.51) NOTUMKCNQ1KCNH2CACNA1CSCN5A
SCHEMBL22637730 0.76 KCNT1 (0.51) NOTUMKCNQ1KCNH2CACNA1CSCN5A
SCHEMBL15479767 0.76 KCNT1 (0.58) NOTUMKCNQ1KCNH2CACNA1CSCN5A
Hydrochloric Acid SCHEMBL28705235 0.76 KCNT1 (0.55) NOTUMKCNQ1KCNH2CACNA1CSCN5A
Hydrochloric Acid SCHEMBL28705236 0.76 KCNT1 (0.55) NOTUMKCNQ1KCNH2CACNA1CSCN5A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 — — US disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 — — CN disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 — — EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 — — WO 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-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 LOXL2 3485/4885NOTUM 3848/4885LOX 3282/4885

“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.

Send feedback