SCHEMBL21798653

SCHEMBL21798653

Cc1cccc2cc3c(=O)n(C)cc(C(=O)NC(C)CNCC(C)C)c3nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
CASP1 P29466 6/20 0.41
CASP7 P55210 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 5/20 0.41
ATM Q13315 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 4/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.37
MEN1 O00255 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
POLR1A O95602 1/20 0.35
PABPC1 P11940 1/20 0.35
MAPK1 P28482 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
SCHEMBL21798682 0.88 SMN1; SMN2 (0.43) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL21798702 0.88 KDM4E (0.42) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL21798719 0.85 KDM4E (0.41) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL21798654 0.84 POLR1A (0.42) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL21798671 0.83 SMN1; SMN2 (0.41) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL21798666 0.82 KDM4E (0.42) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL634263 0.81 KDM4E (0.40) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL634262 0.81 KDM4E (0.40) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL635687 0.80 POLR1A (0.49) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL21798677 0.79 LMNA (0.48) KDM4ECASP1CASP7ALDH1A1HSD17B10

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 KDM4E 3677/4885CASP1 380/4885CASP7 707/4885
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 KDM4E 3723/4885CASP1 341/4885CASP7 551/4885

“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.