SCHEMBL29463541

SCHEMBL29463541

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.48
CTSK P43235 4/20 0.48
CTSB P07858 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
PPARD Q03181 4/20 0.47
PPARA Q07869 4/20 0.47
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNT1 Q5JUK3 2/20 0.43
CTSL P07711 2/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 1/20 0.43
ACACB O00763 2/20 0.42

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
SCHEMBL24660167 1.00 CTSS (0.48) CTSSCTSKCTSBTDP1PPARD
SCHEMBL24660606 0.88 TDP1 (0.50) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL29463534 0.88 TDP1 (0.50) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL22637673 0.86 TDP1 (0.54) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL24660585 0.85 S1PR3 (0.51) TDP1PPARDPPARAKCNT1ACACB
SCHEMBL22649167 0.83 KCNT1 (0.57) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL22649477 0.83 PPARD (0.49) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL22649521 0.83 KCNT1 (0.57) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL29463464 0.83 KCNT1 (0.57) TDP1PPARDPPARATP53SMN1; SMN2
SCHEMBL29463495 0.83 PPARD (0.49) TDP1PPARDPPARATP53SMN1; SMN2

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 CTSS 3102/4885CTSK 2145/4885CTSB 2898/4885

“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.