SCHEMBL21963086

SCHEMBL21963086

COC(=O)c1cc([N+](=O)[O-])nn1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 9/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 3/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.40
ALPL P05186 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL16111643 0.87 SMN1; SMN2 (0.54) KDM4EL3MBTL1ALDH1A1CYP3A4CYP1A2
SCHEMBL15939181 0.79 ALDH1A1 (0.47) KDM4EL3MBTL1PTGS2ALDH1A1CYP3A4
SCHEMBL22021460 0.79 PTGS2 (0.48) KDM4EL3MBTL1PTGS2ALDH1A1CYP3A4
SCHEMBL26134832 0.77 KDM4E (0.45) KDM4EL3MBTL1PTGS2ALDH1A1CYP3A4
SCHEMBL15939622 0.76 PTGS2 (0.46) KDM4EL3MBTL1PTGS2ALDH1A1CYP3A4
SCHEMBL31125228 0.76 ALDH1A1 (0.48) KDM4EL3MBTL1PTGS2ALDH1A1CYP3A4
SCHEMBL28727382 0.75 PTGS1 (0.46) PTGS2ALDH1A1CYP1A2CYP2C19LMNA
SCHEMBL611620 0.75 CA12 (0.41) KDM4EALDH1A1MAPT
SCHEMBL22021462 0.74 PTGS2 (0.47) KDM4EL3MBTL1PTGS2ALDH1A1CYP3A4
SCHEMBL21963097 0.74 PTGS2 (0.56) KDM4EL3MBTL1PTGS2ALDH1A1CYP3A4

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 KDM4E 4525/4885L3MBTL1 4789/4885PTGS2 1131/4885

“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.