SCHEMBL19475486

SCHEMBL19475486

CC(C)c1ccc(C#N)c(C(C)C)c1N

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
AR P10275 2/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
KDM5A P29375 1/20 0.30

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
SCHEMBL30567325 1.00 KDM4E (0.34) KDM4EUSP2ALDH1A1P2RX3P2RX2
SCHEMBL18999988 0.82 AR (0.35) KDM4EALDH1A1P2RX3P2RX2AR
SCHEMBL22012403 0.78 AR (0.36) ARMAOAMAOBIMPDH2IMPDH1
SCHEMBL20681127 0.77 AR (0.35) ARMAOAMAOBIMPDH2IMPDH1
SCHEMBL30791049 0.77 AR (0.35) ARMAOAMAOBIMPDH2IMPDH1
SCHEMBL11802396 0.75 CA1 (0.37) ALDH1A1ARKDM5A
SCHEMBL25022494 0.74 AR (0.39) ARMAOAMAOBIMPDH2IMPDH1
SCHEMBL19768970 0.74 GABRA1 (0.40) ALDH1A1P2RX3P2RX2AR
SCHEMBL21535431 0.74 MAOA (0.36) ARMAOAMAOBKDM5A
SCHEMBL22859279 0.73 NPC1 (0.34) ALDH1A1ARMAOAMAOBKDM5A

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391884-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-11-28 US disclosed
US-12084424-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2024-09-10 US disclosed
EP-4349820-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2024-04-10 EP disclosed
EP-3658539-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-02-21 EP disclosed
CN-111094242-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2024-02-09 CN disclosed
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230416211-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-12-28 US disclosed
CN-117209447-A Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2023-12-12 CN disclosed
CN-117143042-A Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2023-12-01 CN disclosed
US-11760735-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-09-19 US disclosed
US-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2020-03-19 US disclosed
US-20190119224-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 US disclosed
US-20190119224-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 US disclosed
WO-2019023147-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO disclosed
WO-2019023147-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO disclosed
WO-2019023145-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO disclosed
WO-2019023145-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO disclosed
WO-2017184624-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed
WO-2017184624-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed
CN-102532030-A Synthesis method for multi-substituted 2-imidoimidazoline-4,5-diketone UNIV BEIJING 2012-07-04 CN 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 (6 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-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KDM4E 4525/4885USP2 4117/4885ALDH1A1 1972/4885
US-11760735-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 KDM4E 4517/4885USP2 3844/4885ALDH1A1 2031/4885
US-12084424-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 KDM4E 4525/4885USP2 4117/4885ALDH1A1 1972/4885
US-20190119224-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KDM4E 4517/4885USP2 3844/4885ALDH1A1 2031/4885
US-20230416211-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KDM4E 4525/4885USP2 4117/4885ALDH1A1 1972/4885
US-20240391884-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KDM4E 4525/4885USP2 4117/4885ALDH1A1 1972/4885

“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.