SCHEMBL22649167

SCHEMBL22649167

Cc1cccc(-c2noc([C@@H](C)NC(=O)OC(C)(C)C)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 5/20 0.57
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
ACACB O00763 5/20 0.47
PPARD Q03181 5/20 0.47
PPARA Q07869 5/20 0.47
IDH1 O75874 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL22649521 1.00 KCNT1 (0.57) KCNT1TP53SMN1; SMN2TDP1ACACB
SCHEMBL29463491 1.00 KCNT1 (0.57) KCNT1TP53SMN1; SMN2TDP1ACACB
SCHEMBL29463464 1.00 KCNT1 (0.57) KCNT1TP53SMN1; SMN2TDP1ACACB
SCHEMBL22649477 0.89 PPARD (0.49) KCNT1TP53SMN1; SMN2TDP1ACACB
SCHEMBL29463495 0.89 PPARD (0.49) KCNT1TP53SMN1; SMN2TDP1ACACB
SCHEMBL24660179 0.88 KMT2A (0.49) KCNT1TP53SMN1; SMN2TDP1ACACB
SCHEMBL22649547 0.88 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22637889 0.88 KMT2A (0.49) KCNT1TP53SMN1; SMN2TDP1ACACB
SCHEMBL22649224 0.88 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22637858 0.88 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA

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 2 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
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 KCNT1 1/4885TP53 4492/4885SMN1; SMN2 423/4885

“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.