SCHEMBL21798677

SCHEMBL21798677

Cc1cccc2cc3c(=O)n(C)cc(C(=O)NCCO)c3nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
BRD4 O60885 2/20 0.44
KDM4E B2RXH2 9/20 0.42
POLR1A O95602 1/20 0.41
CYP1A2 P05177 1/20 0.41
CASP1 P29466 5/20 0.41
CASP7 P55210 5/20 0.41
MAPT P10636 5/20 0.41
HSD17B10 Q99714 4/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
ATM Q13315 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL30122275 0.89 POLR1A (0.50) BRD4KDM4EPOLR1ACYP1A2HTT
SCHEMBL29058295 0.89 POLR1A (0.50) BRD4KDM4EPOLR1ACYP1A2HTT
SCHEMBL30122373 0.89 RAD52 (0.49) BRD4KDM4EPOLR1ACYP1A2HSD17B10
SCHEMBL30122363 0.89 RAD52 (0.49) BRD4KDM4EPOLR1ACYP1A2HSD17B10
SCHEMBL634092 0.89 RAD52 (0.49) BRD4KDM4EPOLR1ACYP1A2HSD17B10
SCHEMBL21798655 0.87 PDE10A (0.46) LMNAKDM4EPOLR1ACYP1A2CASP1
SCHEMBL21798666 0.86 KDM4E (0.42) BRD4KDM4EPOLR1ACASP1CASP7
SCHEMBL21798702 0.86 KDM4E (0.42) BRD4KDM4ECASP1CASP7MAPT
SCHEMBL21798703 0.85 POLR1A (0.42) BRD4KDM4EPOLR1ACYP1A2CASP1
SCHEMBL21798638 0.85 KDM4E (0.44) LMNABRD4KDM4EPOLR1ACASP1

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 LMNA 2279/4885BRD4 3251/4885KDM4E 3677/4885
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 LMNA 2148/4885BRD4 3533/4885KDM4E 3723/4885

“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.