SCHEMBL29463534

SCHEMBL29463534

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
PPARD Q03181 6/20 0.49
PPARA Q07869 6/20 0.49
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNT1 Q5JUK3 4/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 1/20 0.45
ACACB O00763 5/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 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
SCHEMBL24660606 1.00 TDP1 (0.50) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL24660167 0.88 CTSS (0.48) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL29463541 0.88 CTSS (0.48) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL29463491 0.86 KCNT1 (0.57) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL29463464 0.86 KCNT1 (0.57) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL29463495 0.86 PPARD (0.49) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL22649521 0.86 KCNT1 (0.57) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL22649167 0.86 KCNT1 (0.57) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL22649477 0.86 PPARD (0.49) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL22637858 0.85 KCNT1 (0.60) TDP1PPARDPPARAKCNT1ACACB

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
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP 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 TDP1 1280/4885PPARD 4482/4885PPARA 4478/4885

“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.