SCHEMBL25848846

SCHEMBL25848846

C#CC(C)(C)c1ccc(CNC(=O)c2ccc(S(C)(=O)=O)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.46
NR1H4 Q96RI1 8/20 0.46
HDAC3 O15379 4/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC4 P56524 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL25848841 0.89 EPHX2 (0.42) EPHX2NR1H4HDAC3HDAC1HDAC6
SCHEMBL25848955 0.89 EPHX2 (0.46) EPHX2NR1H4HDAC3HDAC1HDAC6
SCHEMBL25848823 0.87 EPHX2 (0.61) EPHX2NR1H4HDAC3HDAC6CA1
SCHEMBL25848940 0.83 LSS (0.50) EPHX2NR1H4HDAC3HDAC1HDAC6
SCHEMBL25848839 0.80 ALDH1A1 (0.49) HDAC3HDAC1HDAC6HDAC4MEN1
SCHEMBL25848951 0.78 EPHX2 (0.42) EPHX2NR1H4HDAC3HDAC1HDAC6
SCHEMBL25848811 0.77 SMN1; SMN2 (0.51) EPHX2NR1H4HDAC3HDAC1HDAC6
SCHEMBL24196149 0.76 HDAC3 (0.44) EPHX2NR1H4HDAC3HDAC1HDAC6
SCHEMBL24196383 0.75 EPHX2 (0.42) EPHX2NR1H4HDAC3HDAC1HDAC6
SCHEMBL25848828 0.75 EPHX2 (0.53) EPHX2NR1H4HDAC3HDAC6CA1

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 EPHX2 2590/4885NR1H4 3085/4885HDAC3 1223/4885

“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.