SCHEMBL21963393

SCHEMBL21963393

NC(=O)Oc1c2c(nc3c1CCC3O)CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 5/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 3/20 0.33
MAPK1 P28482 1/20 0.31
BPTF Q12830 1/20 0.31
ALDH1A1 P00352 3/20 0.30
EEF2K O00418 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL31475665 0.85 GAA (0.38) GAACYP1A2KDM4EMAPTMEN1
SCHEMBL21963178 0.82 ACHE (0.45) GAACYP1A2KDM4EMAPTMEN1
SCHEMBL21963155 0.74 ACHE (0.55) CYP1A2KDM4EMEN1KMT2AACHE
SCHEMBL21963301 0.71 GAA (0.43) GAACYP1A2KDM4EMAPTMEN1
SCHEMBL21963248 0.71 EEF2K (0.39) GAACYP1A2KDM4EACHEALDH1A1
SCHEMBL21963102 0.71 ACHE (0.37) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL21963201 0.70 GAA (0.46) GAACYP1A2KDM4EMAPTMEN1
SCHEMBL30162295 0.68 USP2 (0.38) GAACYP1A2KDM4EMAPTMEN1
SCHEMBL28641253 0.67 NPSR1 (0.38) GAACYP1A2KDM4EMAPTMEN1
SCHEMBL28923121 0.67 SMN1; SMN2 (0.40) GAACYP1A2KDM4EMAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
EP-3880660-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 GAA 1444/4885CYP1A2 1790/4885KDM4E 4525/4885

“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.