SCHEMBL24978435

SCHEMBL24978435

O=C(Nc1c2c(nc(C3CC3)c1C1CC1)CCC2)OCC(Cl)(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.44
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
ACHE P22303 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
EHMT2 Q96KQ7 1/20 0.31
EEF2K O00418 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
SCHEMBL22020726 0.91 NLRP3 (0.38) NLRP3CYP1A2GAAUSP2KDM4E
SCHEMBL30162291 0.88 CYP1A2 (0.39) NLRP3CYP1A2GAAUSP2KDM4E
SCHEMBL22020310 0.88 CYP1A2 (0.39) NLRP3CYP1A2GAAUSP2KDM4E
SCHEMBL22020723 0.88 CYP1A2 (0.39) NLRP3CYP1A2GAAUSP2KDM4E
SCHEMBL22021170 0.86 CYP1A2 (0.40) NLRP3CYP1A2GAAUSP2KDM4E
SCHEMBL30161993 0.86 NLRP3 (0.48) NLRP3CYP1A2GAAUSP2KDM4E
SCHEMBL22020328 0.86 CYP1A2 (0.40) NLRP3CYP1A2GAAUSP2KDM4E
SCHEMBL22021212 0.86 NLRP3 (0.48) NLRP3CYP1A2GAAUSP2KDM4E
SCHEMBL30162257 0.86 CYP1A2 (0.40) NLRP3CYP1A2GAAUSP2KDM4E
SCHEMBL22021451 0.85 NPSR1 (0.39) NLRP3CYP1A2GAAUSP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4667054-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2025-12-24 EP disclosed
EP-3880660-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2025-07-02 EP disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US 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 NLRP3 2/4885CYP1A2 1790/4885GAA 1444/4885

“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.