SCHEMBL22010622

SCHEMBL22010622

CN(C)Cc1ccc2c(c1)S(=N)(=O)NC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.36
CA9 Q16790 5/20 0.36
PARP1 P09874 5/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 2/20 0.33
GLO1 Q04760 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
KMT2A Q03164 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL25014708 0.88 CHEK1 (0.36) CA12CA9PARP1HRH3TTK
SCHEMBL22010623 0.83 MAOA (0.44) CA12CA9CA1CA2CA7
SCHEMBL21962960 0.76 ALDH1A1 (0.43) CA12CA9CA1CA2
SCHEMBL22011237 0.74 CA12 (0.47) CA12CA9CA1CA2CA7
SCHEMBL22010268 0.73 CHKA (0.40) PARP1HRH3
SCHEMBL22010272 0.73 PARP1 (0.32) CA12CA9PARP1
SCHEMBL21962945 0.73 MTNR1A (0.38) CA12CA9CA1CA2KMT2A
SCHEMBL21962972 0.72 PARP1 (0.37) PARP1HRH3TTKAURKBINCENP
SCHEMBL25014902 0.71 CHEK1 (0.59) CA12CA9CA1CA2CA7
SCHEMBL22010260 0.71 CA9 (0.47) CA12CA9CA1CA2CA7

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-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
WO-2020102100-A9 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-01-06 WO disclosed
WO-2020102100-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-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CA12 2983/4885CA9 3205/4885PARP1 2211/4885

“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.