SCHEMBL21798682

SCHEMBL21798682

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 7/20 0.42
CASP1 P29466 5/20 0.42
CASP7 P55210 5/20 0.42
ATM Q13315 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 4/20 0.41
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.39
CGAS Q8N884 1/20 0.39
MEN1 O00255 1/20 0.38
POLR1A O95602 1/20 0.38
AHR P35869 2/20 0.37
PABPC1 P11940 1/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
BRD4 O60885 2/20 0.37

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
SCHEMBL21798653 0.88 KDM4E (0.41) SMN1; SMN2KDM4ECASP1CASP7ATM
SCHEMBL21798667 0.88 PDE10A (0.44) KDM4ECASP1CASP7ATMALDH1A1
SCHEMBL21798654 0.88 POLR1A (0.42) SMN1; SMN2KDM4ECASP1CASP7ATM
SCHEMBL21798671 0.86 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ECASP1CASP7ATM
SCHEMBL21798677 0.84 LMNA (0.48) KDM4ECASP1CASP7ATMALDH1A1
SCHEMBL634262 0.84 KDM4E (0.40) SMN1; SMN2KDM4ECASP1CASP7ATM
SCHEMBL634263 0.84 KDM4E (0.40) SMN1; SMN2KDM4ECASP1CASP7ATM
SCHEMBL21798683 0.84 AHR (0.41) KDM4ECASP1CASP7ATMALDH1A1
SCHEMBL21798666 0.84 KDM4E (0.42) SMN1; SMN2KDM4ECASP1CASP7ATM
SCHEMBL21798719 0.82 KDM4E (0.41) SMN1; SMN2KDM4ECASP1CASP7ATM

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 SMN1; SMN2 2578/4885KDM4E 3677/4885CASP1 380/4885
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 SMN1; SMN2 2367/4885KDM4E 3723/4885CASP1 341/4885

“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.