SCHEMBL21962667

SCHEMBL21962667

CN1CCc2cc(S(=N)(=O)N[Si](C)(C)C(C)(C)C)sc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 1/20 0.35
PARP1 P09874 3/20 0.33
PARP2 Q9UGN5 3/20 0.33
DRD2 P14416 3/20 0.33
HTR2C P28335 3/20 0.33
DRD3 P35462 3/20 0.33
HTR6 P50406 3/20 0.33
HTR2A P28223 2/20 0.33
F10 P00742 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
BRCA1 P38398 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
SCHEMBL22012058 0.88 DRD2 (0.36) WDR91PARP1PARP2DRD2HTR2C
SCHEMBL30244447 0.76 PARP1 (0.38) WDR91PARP1PARP2DRD2DRD3
SCHEMBL22012060 0.73 CA2 (0.43) WDR91PARP1PARP2DRD2DRD3
SCHEMBL22012059 0.73 F10 (0.41) WDR91PARP1PARP2DRD2HTR2C
SCHEMBL31054271 0.72 CA2 (0.42) WDR91PARP1PARP2DRD2DRD3
SCHEMBL20692242 0.68 DRD2 (0.47) DRD2HTR2CDRD3HTR6HTR2A
SCHEMBL20680982 0.68 CCR4 (0.38)
SCHEMBL20692074 0.68 DRD2 (0.46) DRD2HTR2CDRD3HTR6HTR2A
SCHEMBL22012118 0.66 PARP1 (0.36) PARP1PARP2F10HDAC6ALDH1A1
SCHEMBL19398845 0.65 HDAC6 (0.43) WDR91PARP1PARP2DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102576-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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 WDR91 340/4885PARP1 2052/4885PARP2 3257/4885

“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.