SCHEMBL25849341

SCHEMBL25849341

BC(P)(P)COc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
EPHX2 P34913 3/20 0.38
NR1H4 Q96RI1 3/20 0.38
PPARA Q07869 3/20 0.38
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CLK1 P49759 1/20 0.35
CHRM4 P08173 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
SCHEMBL25848942 0.87 HDAC3 (0.53) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL25848838 0.86 HDAC3 (0.52) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL25848807 0.79 NR1H4 (0.52) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL25848839 0.78 ALDH1A1 (0.49) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL25848823 0.77 EPHX2 (0.61) HDAC3HDAC6EPHX2NR1H4KMT2A
SCHEMBL25849346 0.77 HDAC3 (0.51) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL25848940 0.76 LSS (0.50) HDAC3HDAC1HDAC4HDAC6EPHX2
SCHEMBL29164912 0.76 HDAC3 (0.47) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL25848943 0.75 HDAC3 (0.49) HDAC3HDAC1HDAC4HDAC6ALDH1A1
SCHEMBL25848811 0.75 SMN1; SMN2 (0.51) HDAC3HDAC1HDAC4HDAC6ALDH1A1

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.