SCHEMBL22020355

SCHEMBL22020355

NS(=O)(=O)c1nn(-c2ccccc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA9 Q16790 12/20 0.41
CA12 O43570 11/20 0.41
CA1 P00915 9/20 0.41
CA2 P00918 9/20 0.41
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
PTGS2 P35354 3/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
PTGS1 P23219 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37

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
SCHEMBL21963429 0.77 POLB (0.34) POLBALDH1A1GAAMAPTL3MBTL1
SCHEMBL21963359 0.75 KCNA5 (0.48) ALDH1A1MAPTL3MBTL1CA2
SCHEMBL31475691 0.74 CA9 (0.40) POLBALDH1A1GAAMAPTL3MBTL1
SCHEMBL22021224 0.72 POLB (0.34) POLBALDH1A1GAAMAPTL3MBTL1
SCHEMBL27260684 0.68 PTGS2 (0.57) POLBALDH1A1MAPTPTGS2
SCHEMBL10699375 0.67 DGAT1 (0.41) POLBALDH1A1MAPTPTGS2PTGS1
SCHEMBL18007715 0.67 CYP2C9 (0.45) POLBALDH1A1GAAMAPTL3MBTL1
SCHEMBL21962406 0.67 CA12 (0.31) CA9CA12CA1CA2
SCHEMBL23851006 0.66 ADORA2A (0.35) CA9CA12CA1CA2ADORA2A
SCHEMBL21962138 0.66 NPC1 (0.38) ALDH1A1MAPTL3MBTL1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US 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 POLB 4644/4885ALDH1A1 1972/4885GAA 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.