SCHEMBL21798644

SCHEMBL21798644

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
RAD52 P43351 5/20 0.47
POLR1A O95602 2/20 0.47
UHRF1 Q96T88 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMARCA2 P51531 1/20 0.43
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
HTT P42858 2/20 0.38
MAOB P27338 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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 0.85 HDAC1 (0.57) AOX1HDAC1HDAC6RAD52UHRF1
SCHEMBL21798680 0.82 HDAC1 (0.51) AOX1HDAC1HDAC6RAD52UHRF1
SCHEMBL21798642 0.81 HDAC1 (0.53) AOX1HDAC1HDAC6RAD52UHRF1
SCHEMBL105276 0.81 AOX1 (0.78) AOX1HDAC1HDAC6RAD52POLR1A
SCHEMBL29369424 0.81 AOX1 (0.78) AOX1HDAC1HDAC6RAD52POLR1A
SCHEMBL21798696 0.81 RAD52 (0.48) AOX1RAD52POLR1ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL29608361 0.80 AOX1 (0.77) AOX1HDAC1HDAC6RAD52POLR1A
Hydrochloric Acid SCHEMBL4888175 0.80 AOX1 (0.77) AOX1HDAC1HDAC6RAD52POLR1A
SCHEMBL5450967 0.79 HDAC1 (0.42) AOX1HDAC1HDAC6RAD52POLR1A
SCHEMBL5450974 0.79 HDAC1 (0.42) AOX1HDAC1HDAC6RAD52POLR1A

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 AOX1 453/4885HDAC1 34/4885HDAC6 139/4885
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 AOX1 531/4885HDAC1 30/4885HDAC6 144/4885

“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.