SCHEMBL21798680

SCHEMBL21798680

CC(CNC(=O)c1cccc2cc3ccccc3nc12)OS(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
AOX1 Q06278 1/20 0.47
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
GLA P06280 1/20 0.43
RAD52 P43351 5/20 0.41
UHRF1 Q96T88 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
SMARCA2 P51531 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAOB P27338 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL21798637 0.83 HDAC1 (0.57) HDAC1HDAC6AOX1KDM4EKMT2A
SCHEMBL21798644 0.82 AOX1 (0.54) HDAC1HDAC6AOX1KDM4EKMT2A
SCHEMBL21798690 0.80 MAPT (0.46) KDM4EKMT2AMAPTMEN1GLA
SCHEMBL21798642 0.80 HDAC1 (0.53) HDAC1HDAC6AOX1KDM4EKMT2A
SCHEMBL21798688 0.79 HDAC1 (0.45) HDAC1HDAC6AOX1KDM4EKMT2A
SCHEMBL8652717 0.77 AOX1 (0.59) HDAC1HDAC6AOX1KDM4ERAD52
SCHEMBL8652716 0.75 HDAC1 (0.45) HDAC1HDAC6AOX1KDM4EMAPT
SCHEMBL7568845 0.74 HDAC1 (0.67) HDAC1HDAC6AOX1KDM4EKMT2A
SCHEMBL21798685 0.74 HDAC1 (0.51) HDAC1HDAC6AOX1KDM4EKMT2A
SCHEMBL105276 0.74 AOX1 (0.78) HDAC1HDAC6AOX1KDM4ERAD52

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046687-B2 Polycyclic amide compound, preparation process and use thereof HEBEI GRANDIOS PHARMA CO., LTD. 2021-06-29 US disclosed
US-20200079771-A1 Novel Polycyclic Amide Compound, Preparation Process And Use Thereof HEBEI GRANDIOS PHARMA CO., LTD. (CN) 2020-03-12 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 (2 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-20200079771-A1 Novel Polycyclic Amide Compound, Preparation Process And Use Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, UACA HDAC1 34/4885HDAC6 139/4885AOX1 453/4885
US-11046687-B2 Polycyclic amide compound, preparation process and use thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UACA, H1-0 HDAC1 30/4885HDAC6 144/4885AOX1 531/4885

“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.