SCHEMBL25848863

SCHEMBL25848863

CCS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(C)(F)F)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
HDAC3 O15379 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC4 P56524 3/20 0.47
EPHX2 P34913 11/20 0.43
NR1H4 Q96RI1 9/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HDAC8 Q9BY41 1/20 0.40
PPARA Q07869 1/20 0.40
LSS P48449 1/20 0.40

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
SCHEMBL24196677 0.92 LSS (0.49) HDAC1HDAC3HDAC6HDAC4EPHX2
SCHEMBL25848867 0.89 HDAC3 (0.49) HDAC1HDAC3HDAC6HDAC4EPHX2
SCHEMBL25848865 0.86 HDAC3 (0.46) HDAC1HDAC3HDAC6HDAC4EPHX2
SCHEMBL25848859 0.84 HDAC3 (0.44) HDAC1HDAC3HDAC6HDAC4EPHX2
SCHEMBL25848934 0.81 PPARA (0.48) HDAC1HDAC3HDAC6HDAC4EPHX2
SCHEMBL25848940 0.81 LSS (0.50) HDAC1HDAC3HDAC6HDAC4EPHX2
SCHEMBL25848983 0.81 HDAC3 (0.50) HDAC1HDAC3HDAC6HDAC4EPHX2
SCHEMBL25848932 0.80 EPHX2 (0.51) HDAC3HDAC6EPHX2NR1H4CA1
SCHEMBL25848823 0.79 EPHX2 (0.61) HDAC3HDAC6EPHX2NR1H4CA1
SCHEMBL25849324 0.79 PPARA (0.49) HDAC1HDAC3HDAC6HDAC4EPHX2

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 HDAC1 1680/4885HDAC3 1223/4885HDAC6 1167/4885

“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.