SCHEMBL21963301

SCHEMBL21963301

O=C(O)Nc1c2c(nc3c1CCC3O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
USP2 O75604 2/20 0.43
CYP1A2 P05177 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 3/20 0.40
ACHE P22303 2/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.36
NLRP3 Q96P20 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 3/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAD52 P43351 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
SCHEMBL21963201 0.87 GAA (0.46) GAAUSP2CYP1A2NPSR1MAPT
SCHEMBL21963400 0.84 NLRP3 (0.48) GAAUSP2CYP1A2NPSR1MAPT
SCHEMBL21963335 0.84 GAA (0.42) GAAUSP2CYP1A2NPSR1MAPT
SCHEMBL22265280 0.84 NLRP3 (0.48) GAAUSP2CYP1A2NPSR1MAPT
SCHEMBL20681381 0.81 GAA (0.61) GAAUSP2CYP1A2NPSR1MAPT
SCHEMBL30162295 0.78 USP2 (0.38) GAAUSP2CYP1A2NPSR1MAPT
SCHEMBL21963155 0.73 ACHE (0.55) CYP1A2KDM4EKMT2AACHEMEN1
SCHEMBL21963102 0.73 ACHE (0.37) MAPTKDM4EKMT2AACHEMEN1
SCHEMBL22020797 0.72 NLRP3 (0.48) GAAUSP2CYP1A2NPSR1MAPT
SCHEMBL21963067 0.72 GAA (0.46) GAAUSP2CYP1A2NPSR1MAPT

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 1444/4885USP2 4117/4885CYP1A2 1790/4885

“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.