SCHEMBL25848861

SCHEMBL25848861

CC(F)(F)c1ccc(CNC(=O)c2ccc(S(C)(=O)=O)s2)nc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.41
BACE1 P56817 1/20 0.40
HPGD P15428 2/20 0.38
ELANE P08246 3/20 0.37
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
HDAC3 O15379 2/20 0.36
GLS O94925 1/20 0.36
RORC P51449 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL24196152 0.92 BACE1 (0.47) NAMPTBACE1HPGDELANEGLS
SCHEMBL25848857 0.80 EPHX2 (0.45) ELANEHDAC4HDAC1HDAC6EPHX2
SCHEMBL25848848 0.79 EPHX2 (0.48) HDAC4HDAC1HDAC6EPHX2NR1H4
SCHEMBL25848851 0.79 EPHX2 (0.42) NAMPTHDAC4HDAC1HDAC6EPHX2
SCHEMBL25848940 0.78 LSS (0.50) HDAC4HDAC1HDAC6EPHX2NR1H4
SCHEMBL25848868 0.77 BTK (0.38) NAMPTELANEHDAC1HDAC6EPHX2
SCHEMBL25848823 0.76 EPHX2 (0.61) HDAC6EPHX2NR1H4HDAC3MEN1
SCHEMBL25848972 0.76 NAMPT (0.47) NAMPTHDAC4HDAC1HDAC6EPHX2
SCHEMBL25848970 0.74 EPHX2 (0.44) ELANEHDAC4HDAC1HDAC6EPHX2
SCHEMBL25848863 0.74 HDAC1 (0.47) HDAC4HDAC1HDAC6EPHX2NR1H4

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 NAMPT 378/4885BACE1 664/4885HPGD 2270/4885

“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.