SCHEMBL29463500

SCHEMBL29463500

C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cccc(F)c2)no1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 7/20 0.60
TDP1 Q9NUW8 1/20 0.47
ACACB O00763 5/20 0.46
PPARD Q03181 4/20 0.46
PPARA Q07869 4/20 0.46
IDH1 O75874 1/20 0.46
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 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
SCHEMBL22637858 1.00 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22649224 1.00 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL29463519 1.00 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22649547 1.00 KCNT1 (0.60) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22637514 0.90 KCNT1 (0.54) KCNT1TDP1IDH1LMNATSHR
SCHEMBL24660553 0.89 KCNT1 (0.47) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL14153113 0.89 KCNT1 (0.49) KCNT1ACACBPPARDPPARAIDH1
SCHEMBL24660736 0.88 KCNT1 (0.48) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22649167 0.88 KCNT1 (0.57) KCNT1TDP1ACACBPPARDPPARA
SCHEMBL22649477 0.88 PPARD (0.49) 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
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 KCNT1 1/4885TDP1 1280/4885ACACB 3348/4885

“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.