SCHEMBL25848832

SCHEMBL25848832

CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C3(C)CC3)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC4 P56524 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
NAMPT P43490 6/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ESRRG P62508 1/20 0.36
LMNA P02545 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
SCHEMBL25848829 0.88 HDAC3 (0.40) AKT3HDAC3HDAC1HDAC4HDAC6
SCHEMBL25262077 0.86 HDAC1 (0.43) AKT3HDAC3HDAC1HDAC4HDAC6
SCHEMBL25848775 0.83 MEN1 (0.52) KMT2AMEN1TDP1KDM4EALDH1A1
SCHEMBL25848928 0.82 CA1 (0.46) AKT3HDAC3HDAC1HDAC4HDAC6
SCHEMBL25848884 0.82 CCR1 (0.47) HDAC3HDAC1HDAC4HDAC6KMT2A
SCHEMBL25848805 0.81 USP5 (0.46) AKT3HDAC3HDAC1HDAC4HDAC6
SCHEMBL25848828 0.80 EPHX2 (0.53) HDAC3HDAC6KMT2AMEN1LMNA
SCHEMBL25848782 0.80 KMT2A (0.49) AKT3HDAC3HDAC1HDAC4HDAC6
SCHEMBL25304098 0.79 EPHX2 (0.48) HDAC3HDAC1HDAC4HDAC6NAMPT
SCHEMBL25849324 0.79 PPARA (0.49) HDAC3HDAC1HDAC4HDAC6

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 AKT3 2460/4885HDAC3 1223/4885HDAC1 1680/4885

“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.