SCHEMBL21798686

SCHEMBL21798686

Cc1cccc2cc3c(=O)[nH]cc(C(=O)NCCOS(C)(=O)=O)c3nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.39
POLB P06746 5/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 7/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 8/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 6/20 0.36
ADORA2A P29274 2/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 4/20 0.36
CASP7 P55210 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
PYGL P06737 1/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.35
ADORA1 P30542 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
SCHEMBL21798658 0.86 KDM4E (0.36) ATMPOLBRAB9AMAPTL3MBTL1
SCHEMBL21798652 0.86 KDM4E (0.36) ATMPOLBMAPTTDP1L3MBTL1
SCHEMBL4492119 0.82 RAD52 (0.50) POLBRAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL21798638 0.82 KDM4E (0.44) ATMMAPTL3MBTL1KDM4EMEN1
SCHEMBL21798634 0.80 PDE10A (0.43) ATMMAPTL3MBTL1KDM4EMEN1
Perchlorate SCHEMBL634875 0.78 RAD52 (0.46) POLBRAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL21798663 0.78 SYK (0.43) ATMPOLBMAPTL3MBTL1KDM4E
SCHEMBL31125222 0.78 NR4A2 (0.50) ATMMAPTL3MBTL1KDM4EHSD17B10
SCHEMBL21798640 0.77 MEN1 (0.41) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL31125288 0.77 KDM4E (0.48) ATMPOLBMAPTL3MBTL1KDM4E

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 ATM 2004/4885POLB 502/4885RAB9A 410/4885
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 ATM 2024/4885POLB 496/4885RAB9A 519/4885

“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.