SCHEMBL21798671

SCHEMBL21798671

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 8/20 0.38
CASP1 P29466 5/20 0.38
CASP7 P55210 5/20 0.38
ATM Q13315 5/20 0.38
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 5/20 0.38
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLR1A O95602 1/20 0.34
PABPC1 P11940 1/20 0.34
GLA P06280 1/20 0.34
CREBBP Q92793 1/20 0.34
CNR1 P21554 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL21798678 0.90 PDE10A (0.42) KDM4EATMALDH1A1L3MBTL1MAPT
SCHEMBL21798633 0.87 MEN1 (0.39) KDM4ECASP1CASP7ATMHSD17B10
SCHEMBL21798638 0.86 KDM4E (0.44) SMN1; SMN2KDM4ECASP1CASP7ATM
SCHEMBL21798682 0.86 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ECASP1CASP7ATM
SCHEMBL21798654 0.84 POLR1A (0.42) SMN1; SMN2KDM4ECASP1CASP7ATM
SCHEMBL21798778 0.83 ATM (0.33) KDM4ECASP1CASP7ATMHSD17B10
SCHEMBL21798652 0.83 KDM4E (0.36) KDM4ECASP1CASP7ATMHSD17B10
SCHEMBL21798653 0.83 KDM4E (0.41) SMN1; SMN2KDM4ECASP1CASP7ATM
SCHEMBL21798681 0.82 KDM4E (0.38) KDM4ECASP1CASP7ATMHSD17B10
SCHEMBL634262 0.79 KDM4E (0.40) 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.