SCHEMBL22021169

SCHEMBL22021169

O=C(Nc1c2c(nc3c1CCC3F)CCC2)OCC(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NLRP3 Q96P20 3/20 0.35
ACHE P22303 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 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
SCHEMBL30162327 1.00 CYP1A2 (0.37) CYP1A2GAAUSP2KDM4EMAPT
SCHEMBL30162295 0.88 USP2 (0.38) CYP1A2GAAUSP2KDM4EMAPT
SCHEMBL22021452 0.87 CYP1A2 (0.36) CYP1A2GAAUSP2KDM4EMAPT
SCHEMBL24979139 0.87 NLRP3 (0.46) CYP1A2GAAUSP2KDM4EMAPT
SCHEMBL21962969 0.87 NLRP3 (0.46) CYP1A2GAAUSP2KDM4EMAPT
SCHEMBL24872202 0.87 NLRP3 (0.46) CYP1A2GAAUSP2KDM4EMAPT
SCHEMBL30162388 0.87 NLRP3 (0.46) CYP1A2GAAUSP2KDM4EMAPT
SCHEMBL30120751 0.87 NLRP3 (0.46) CYP1A2GAAUSP2KDM4EMAPT
SCHEMBL22021201 0.85 GAA (0.41) CYP1A2GAAUSP2KDM4EMAPT
SCHEMBL22020329 0.85 CYP1A2 (0.38) CYP1A2GAAUSP2KDM4EMAPT

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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US 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 CYP1A2 1790/4885GAA 1444/4885USP2 4117/4885

“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.