SCHEMBL21962340

SCHEMBL21962340

Nc1c(Br)cc2c(c1[N+](=O)[O-])CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
CTSB P07858 1/20 0.37
MAPT P10636 3/20 0.36
ACHE P22303 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 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
SCHEMBL29573587 0.82 GRIN2D (0.49) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL21722756 0.82 GRIN2D (0.49) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL23012247 0.81 GRIN2D (0.48) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL29573386 0.81 GRIN2D (0.48) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL11192566 0.81 GRIN2D (0.48) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL15326756 0.81 GRIN2D (0.48) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL29284865 0.81 GRIN1 (0.48) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL21646772 0.79 GRIN2D (0.58) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL15326757 0.78 GRIN2D (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL15326690 0.77 GRIN2D (0.44) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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 5 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
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113286784-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-20 CN 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 GRIN1 1435/4885GRIN2A 1385/4885GRIN2D 3937/4885

“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.