SCHEMBL23612102

SCHEMBL23612102

CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KCNH2 Q12809 1/20 0.49
▸ PRMT5 O14744 1/20 0.45
▸ CKS1B P61024 2/20 0.44
▸ SKP1 P63208 2/20 0.44
▸ SKP2 Q13309 2/20 0.44
▸ MET P08581 1/20 0.42
▸ GPR119 Q8TDV5 6/20 0.41
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SUV39H2 Q9H5I1 1/20 0.38

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
SCHEMBL30021359 1.00 MAP4K4 (0.52) MAP4K4LMNAALDH1A1MAPTKCNH2
SCHEMBL30089330 0.95 MAP4K4 (0.48) MAP4K4LMNAALDH1A1MAPTKCNH2
SCHEMBL30089468 0.93 MAP4K4 (0.48) MAP4K4LMNAALDH1A1MAPTKCNH2
SCHEMBL23612106 0.93 MAP4K4 (0.48) MAP4K4LMNAALDH1A1MAPTKCNH2
SCHEMBL23625711 0.83 MAP4K4 (0.61) MAP4K4LMNAALDH1A1MAPTKCNH2
SCHEMBL29727809 0.83 MAP4K4 (0.61) MAP4K4LMNAALDH1A1MAPTKCNH2
SCHEMBL23612029 0.81 MAPT (0.57) MAP4K4LMNAALDH1A1MAPTKCNH2
SCHEMBL3174381 0.81 MAPT (0.57) MAP4K4LMNAALDH1A1MAPTKCNH2
SCHEMBL30021896 0.81 MAPT (0.57) MAP4K4LMNAALDH1A1MAPTKCNH2
SCHEMBL110185 0.80 MAP4K4 (0.59) MAP4K4LMNAALDH1A1MAPTKCNH2

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
US-20240101556-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2024-03-28 — — US disclosed
CN-117561253-A Compounds and compositions for treating disorders related to STING activity 艾福姆德尤股份有限公司 2024-02-13 — — CN disclosed
EP-4274659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2023-11-15 — — EP disclosed
US-20230115274-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-13 — — US disclosed
EP-4085061-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-11-09 — — EP disclosed
WO-2022150543-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-07-14 — — WO disclosed
WO-2021138419-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC, (US) 2021-07-08 — — 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 (2 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-20230115274-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 MAP4K4 1819/4885LMNA 2339/4885ALDH1A1 4654/4885
US-20240101556-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 MAP4K4 2055/4885LMNA 2408/4885ALDH1A1 4563/4885

“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.

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