SCHEMBL21963335

SCHEMBL21963335

O=C(O)Nc1c2c(nc3c1CCC3F)CCC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
CYP1A2 P05177 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 3/20 0.39
ACHE P22303 2/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
HTT P42858 3/20 0.36
NLRP3 Q96P20 2/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 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
SCHEMBL21963301 0.84 GAA (0.43) GAACYP1A2NPSR1USP2MAPT
SCHEMBL22265280 0.83 NLRP3 (0.48) GAACYP1A2NPSR1USP2MAPT
SCHEMBL21963400 0.83 NLRP3 (0.48) GAACYP1A2NPSR1USP2MAPT
SCHEMBL24979089 0.81 NPSR1 (0.36) GAACYP1A2NPSR1USP2MAPT
SCHEMBL20681381 0.79 GAA (0.61) GAACYP1A2NPSR1USP2MAPT
SCHEMBL22021169 0.78 CYP1A2 (0.37) GAACYP1A2NPSR1USP2MAPT
SCHEMBL30162327 0.78 CYP1A2 (0.37) GAACYP1A2NPSR1USP2MAPT
SCHEMBL21963222 0.72 ACHE (0.55) CYP1A2KDM4EKMT2AACHEMEN1
SCHEMBL21963067 0.71 GAA (0.46) GAACYP1A2NPSR1USP2MAPT
SCHEMBL21963201 0.71 GAA (0.46) GAACYP1A2NPSR1USP2MAPT

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 1790/4885NPSR1 1195/4885

“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.