SCHEMBL21798685

SCHEMBL21798685

CC(CO)NC(=O)c1cccc2cc3ccccc3nc12

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 0.46
SMN1; SMN2 Q16637 1/20 0.44
CGAS Q8N884 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
MAP4K4 O95819 1/20 0.42
BRD4 O60885 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
RAD52 P43351 2/20 0.41
SCN9A Q15858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL21798665 0.85 HDAC1 (0.47) HDAC1HDAC6AOX1SMN1; SMN2MEN1
SCHEMBL21798664 0.84 AOX1 (0.47) HDAC1HDAC6AOX1SMN1; SMN2MEN1
SCHEMBL21798688 0.83 HDAC1 (0.45) HDAC1HDAC6AOX1SMN1; SMN2MEN1
SCHEMBL7030323 0.82 AOX1 (0.49) HDAC1HDAC6AOX1SMN1; SMN2MEN1
SCHEMBL8415046 0.80 AOX1 (0.53) HDAC1HDAC6AOX1SMN1; SMN2MEN1
SCHEMBL21798637 0.80 HDAC1 (0.57) HDAC1HDAC6AOX1SMN1; SMN2MEN1
SCHEMBL7566344 0.79 HDAC1 (0.48) HDAC1HDAC6AOX1SMN1; SMN2MEN1
SCHEMBL21798642 0.78 HDAC1 (0.53) HDAC1HDAC6AOX1SMN1; SMN2MEN1
SCHEMBL8652716 0.78 HDAC1 (0.45) HDAC1HDAC6AOX1SMN1; SMN2MAPT
SCHEMBL10525572 0.78 HDAC1 (0.63) HDAC1HDAC6AOX1SMN1; SMN2MAPT

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.