SCHEMBL21963075

SCHEMBL21963075

CCOC(=O)Cn1nc([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.49
NPC1 O15118 1/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3812369 0.84 ALDH1A1 (0.44) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL3992427 0.84 ALDH1A1 (0.41) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL31052646 0.83 HTT (0.60) MITFLMNAHTTALDH1A1MEN1
SCHEMBL25833906 0.82 ALDH1A1 (0.45) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL14912696 0.80 MITF (0.51) MITFLMNAHTTALDH1A1MEN1
SCHEMBL14912776 0.80 MITF (0.51) MITFLMNAHTTALDH1A1MEN1
SCHEMBL21963082 0.79 NPC1 (0.49) NPC1LMNAHTTALDH1A1MEN1
SCHEMBL28607578 0.79 MITF (0.50) MITFLMNAHTTALDH1A1MEN1
SCHEMBL31612959 0.78 ALDH1A1 (0.45) MITFNPC1LMNAHTTALDH1A1
SCHEMBL31497500 0.78 ALDH1A1 (0.44) LMNAHTTALDH1A1MEN1KMT2A

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 7 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
CN-113166065-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2025-04-15 CN 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
CN-113166065-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-07-23 CN disclosed
WO-2020102096-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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MITF 1180/4885NPC1 55/4885LMNA 1699/4885

“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.