SCHEMBL22649477

SCHEMBL22649477

CC(NC(=O)OC(C)(C)C)c1nc(-c2cccc(O)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.49
PPARA Q07869 6/20 0.49
TDP1 Q9NUW8 1/20 0.47
KCNT1 Q5JUK3 5/20 0.47
ACACB O00763 6/20 0.47
MLLT1 Q03111 1/20 0.46
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL29463495 1.00 PPARD (0.49) PPARDPPARATDP1KCNT1ACACB
SCHEMBL22649167 0.89 KCNT1 (0.57) PPARDPPARATDP1KCNT1ACACB
SCHEMBL22649521 0.89 KCNT1 (0.57) PPARDPPARATDP1KCNT1ACACB
SCHEMBL29463464 0.89 KCNT1 (0.57) PPARDPPARATDP1KCNT1ACACB
SCHEMBL29463491 0.89 KCNT1 (0.57) PPARDPPARATDP1KCNT1ACACB
SCHEMBL24660179 0.88 KMT2A (0.49) PPARDPPARATDP1KCNT1ACACB
SCHEMBL22637889 0.88 KMT2A (0.49) PPARDPPARATDP1KCNT1ACACB
SCHEMBL22649547 0.88 KCNT1 (0.60) PPARDPPARATDP1KCNT1ACACB
SCHEMBL22637858 0.88 KCNT1 (0.60) PPARDPPARATDP1KCNT1ACACB
SCHEMBL22649224 0.88 KCNT1 (0.60) PPARDPPARATDP1KCNT1ACACB

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 PPARD 4482/4885PPARA 4478/4885TDP1 1280/4885

“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.