SCHEMBL25601100

SCHEMBL25601100

Cc1cc(-c2noc([C@H](C)NC(=O)c3ccccc3)n2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 5/20 0.62
TDP1 Q9NUW8 1/20 0.58
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ACACB O00763 5/20 0.52
PPARD Q03181 3/20 0.52
PPARA Q07869 3/20 0.52
KCNQ1 P51787 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1C Q13936 1/20 0.51
SCN5A Q14524 1/20 0.51
KCNMB1 Q16558 1/20 0.51
KCNT2 Q6UVM3 1/20 0.51
KMT2A Q03164 1/20 0.50
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL25601373 0.91 KCNT1 (0.62) KCNT1TDP1TP53SMN1; SMN2KCNQ1
SCHEMBL25601136 0.91 KCNT1 (0.64) KCNT1TDP1TP53SMN1; SMN2KCNQ1
SCHEMBL25601114 0.89 KCNT1 (0.58) KCNT1TDP1TP53SMN1; SMN2KCNQ1
SCHEMBL25601094 0.89 KCNT1 (0.60) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL25601146 0.87 PSEN1 (0.55) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL25601119 0.87 TDP1 (0.57) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL25601131 0.87 PSEN1 (0.55) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL25601287 0.85 KCNT1 (0.54) KCNT1TDP1TP53SMN1; SMN2ACACB
SCHEMBL25245935 0.84 KCNT1 (0.71) KCNT1TDP1KCNQ1KCNH2CACNA1C
SCHEMBL25245937 0.84 KCNT1 (0.71) KCNT1TDP1KCNQ1KCNH2CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-06-01 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-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 KCNT1 1/4885TDP1 1280/4885TP53 4492/4885

“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.