SCHEMBL21963397

SCHEMBL21963397

CN=S(=O)(N[Si](C)(C)C(C)(C)C)c1ccc(CN(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
LSS P48449 4/20 0.34
NMT1 P30419 1/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 2/20 0.32
PIK3CD O00329 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL21962297 0.83 LSS (0.42) HRH3LSSNMT1HDAC6HDAC1
SCHEMBL22280110 0.77 HRH3 (0.39) HRH3LSSHDAC6HDAC3TAAR1
SCHEMBL21963314 0.76 HRH3 (0.35) HRH3LSSNMT1HDAC6HDAC1
SCHEMBL22002788 0.70 HTR6 (0.40) NMT1ALDH1A1TSHRNOS1
SCHEMBL20681188 0.70 CHRNB2 (0.33) HRH3LSSPIK3CD
SCHEMBL21810652 0.69 HRH3 (0.37) HRH3LSSNMT1PIK3CDTAAR1
SCHEMBL21893271 0.69 PIK3CA (0.37) NMT1PIK3CDALDH1A1TSHR
SCHEMBL21893848 0.69 LIMK2 (0.43) ALDH1A1
SCHEMBL21893018 0.68 HTR6 (0.36) NMT1ALDH1A1TSHRNOS1
SCHEMBL21963144 0.68 HRH3 (0.45) HRH3LSSTAAR1ALDH1A1TSHR

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
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
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
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-20160248025-A1 Organic Electroluminescent Device UDC IRELAND LTD (IE) 2016-08-25 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 HRH3 2974/4885LSS 1248/4885NMT1 1427/4885

“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.