SCHEMBL25848943

SCHEMBL25848943

CNCS(=O)(=O)c1ccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
PPARA Q07869 8/20 0.40
ALDH1A1 P00352 2/20 0.40
PPARD Q03181 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 2/20 0.38
HPGD P15428 1/20 0.38
AKT3 Q9Y243 1/20 0.38
EPHX2 P34913 2/20 0.37
NR1H4 Q96RI1 2/20 0.37
MAPK14 Q16539 1/20 0.36

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
SCHEMBL25849346 0.88 HDAC3 (0.51) HDAC3HDAC1HDAC4HDAC6PPARA
SCHEMBL25848942 0.87 HDAC3 (0.53) HDAC3HDAC1HDAC4HDAC6PPARA
SCHEMBL25848934 0.86 PPARA (0.48) HDAC3HDAC1HDAC4HDAC6PPARA
SCHEMBL25848932 0.81 EPHX2 (0.51) HDAC3HDAC6NPC1RAB9AEPHX2
SCHEMBL25848838 0.80 HDAC3 (0.52) HDAC3HDAC1HDAC4HDAC6PPARA
SCHEMBL24196171 0.76 HDAC3 (0.50) HDAC3HDAC1HDAC4HDAC6PPARA
SCHEMBL24196677 0.76 LSS (0.49) HDAC3HDAC1HDAC4HDAC6PPARA
SCHEMBL25849341 0.75 HDAC3 (0.46) HDAC3HDAC1HDAC4HDAC6PPARA
SCHEMBL25848935 0.75 HDAC3 (0.43) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL25848983 0.74 HDAC3 (0.50) HDAC3HDAC1HDAC4HDAC6PPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-07-13 US 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-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 HDAC3 1223/4885HDAC1 1680/4885HDAC4 1064/4885

“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.