SCHEMBL29934530

SCHEMBL29934530

CCC(=O)Oc1cc(NN2C(=O)C(C)=C(C)C2=O)nc2cc(Br)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.39
EGLN1 Q9GZT9 1/20 0.36
GAA P10253 4/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.35
GLA P06280 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
F2 P00734 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1592514 0.78 CHEK1 (0.38) CASP3EGLN1GAAKMT2AKDM4E
SCHEMBL23872034 0.78 F2 (0.48) CASP3GAAKMT2ALMNAKDM4E
SCHEMBL1593077 0.77 CASP3 (0.37) CASP3EGLN1GAALMNAKDM4E
SCHEMBL1592474 0.76 CASP3 (0.35) CASP3EGLN1GAAKMT2AKDM4E
SCHEMBL1592478 0.76 CASP3 (0.39) CASP3EGLN1GAAKDM4EF2
SCHEMBL1592940 0.76 XPO1 (0.46) CASP3KMT2AF2MAPTXPO1
SCHEMBL17817935 0.76 CASP3 (0.42) CASP3KMT2AF2ATMXPO1
SCHEMBL3640809 0.71 POLB (0.41) CASP3KMT2ALMNAKDM4EALDH1A1
SCHEMBL27920759 0.70 LMNA (0.47) GAAKMT2ALMNAKDM4EGLA
SCHEMBL30346300 0.70 SMYD3 (0.40) GAAKMT2ALMNAKDM4EHSD17B10

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-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
EP-4074704-A1 QUINOLINE COMPOUNDS WITH ANTI-CANCER ACTIVITY CanBas Co., Ltd. (JP) 2022-10-19 EP 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 (1 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-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 CASP3 1048/4885EGLN1 139/4885GAA 683/4885

“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.