SCHEMBL21677199

SCHEMBL21677199

CC(C)c1n[nH]c(=O)c2cc3sccc3n12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.41
KDM1A O60341 1/20 0.37
HSD17B10 Q99714 3/20 0.37
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PDE5A O76074 1/20 0.34
PDE9A O76083 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.33
PARP10 Q53GL7 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
SCHEMBL21677361 0.89 NLRP3 (0.38) NLRP3KDM1AHSD17B10RXFP1KDM4E
SCHEMBL31252924 0.86 HSD17B10 (0.37) NLRP3HSD17B10RXFP1KDM4EGAA
SCHEMBL31252922 0.82 HSD17B10 (0.42) NLRP3HSD17B10RXFP1KDM4ETP53
SCHEMBL25363074 0.81 NLRP3 (0.43) NLRP3GAAPDE5APDE9A
SCHEMBL21677365 0.79 GFER (0.37) NLRP3HSD17B10GAAPDE5APDE9A
SCHEMBL25771162 0.78 HSD17B10 (0.37) NLRP3HSD17B10KDM4EGAATP53
SCHEMBL21677206 0.77 NLRP3 (0.39) NLRP3HSD17B10RXFP1KDM4EGAA
SCHEMBL23881934 0.77 NLRP3 (0.42) NLRP3GAAPDE5APDE9APARP10
SCHEMBL21677204 0.77 NLRP3 (0.42) NLRP3
SCHEMBL21677213 0.77 NLRP3 (0.40) NLRP3GAAPDE5APDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168012-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2024-12-17 US disclosed
EP-3827008-B1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2024-07-31 EP disclosed
CN-112424207-B NLRP3 inflammatory corpuscle inhibitor 诺华股份有限公司 2024-03-19 CN disclosed
CN-114478537-B Cyclic amide parallel-ring compound and medical application thereof 上海拓界生物医药科技有限公司 2024-02-02 CN disclosed
CN-114478537-A Cyclic amide-fused ring compound and medical use thereof 上海拓界生物医药科技有限公司 2022-05-13 CN disclosed
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2021-10-07 US disclosed
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2021-10-07 US disclosed
WO-2020021447-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2020-01-30 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 (2 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-12168012-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 NLRP3 1/4885KDM1A 1897/4885HSD17B10 2625/4885
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 NLRP3 1/4885KDM1A 1939/4885HSD17B10 2533/4885

“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.