SCHEMBL992030

SCHEMBL992030

CN(CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.50
TSHR P16473 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
NR1D1 P20393 1/20 0.45
CDC25C P30307 2/20 0.44
GAA P10253 1/20 0.44
PPARD Q03181 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL15807642 0.92 KCNH2 (0.47) KCNH2TSHRSIGMAR1NR1D1CDC25C
SCHEMBL23727717 0.88 KCNH2 (0.49) KCNH2TSHRNR1D1CDC25CGAA
SCHEMBL23727742 0.86 KCNH2 (0.46) KCNH2TSHRSIGMAR1NR1D1CDC25C
SCHEMBL3156438 0.86 NR1D1 (0.52) KCNH2NR1D1GAAALDH1A1LMNA
SCHEMBL30408958 0.85 SIGMAR1 (0.49) TSHRSIGMAR1ALDH1A1LMNAMAPT
SCHEMBL3534499 0.85 KCNH2 (0.53) KCNH2TSHRSIGMAR1CDC25CGAA
SCHEMBL16682344 0.84 KCNH2 (0.53) KCNH2TSHRNR1D1CDC25CKMT2A
SCHEMBL19491362 0.83 KCNH2 (0.52) KCNH2TSHRSIGMAR1NR1D1CDC25C
SCHEMBL1287149 0.83 KCNH2 (0.46) KCNH2TSHRSIGMAR1NR1D1CDC25C
SCHEMBL31606972 0.83 MAPT (0.52) TSHRSIGMAR1NR1D1GAATDP1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260131016-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC (US) 2026-05-14 US disclosed
US-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-04-10 US disclosed
EP-4486390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF Terremoto Biosciences, Inc (US) 2025-01-08 EP disclosed
EP-4426714-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF Adcentrx Therapeutics Inc. (US) 2024-09-11 EP disclosed
WO-2023168291-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-09-07 WO disclosed
WO-2023081230-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
WO-2011140009-A1 METHODS OF USING SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2011-11-10 WO disclosed
EP-2373694-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BioMarin Pharmaceutical Inc. (US) 2011-10-12 EP disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
WO-2010065174-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-06-10 WO disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases CAPRARO HANS-GEORG 2007-09-13 US disclosed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 WO disclosed
US-6395905-B1 GABA-A ALPHA 5 LIGANDS USEFUL FOR ENHANCING COGNITION: MERCK SHARP & DOHME LTD. (GB) 2002-05-28 US 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 (5 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-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF AKT1, AKT1S1, AKT2 KCNH2 4380/4885TSHR 3503/4885SIGMAR1 4728/4885
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 KCNH2 1447/4885TSHR 3724/4885SIGMAR1 3623/4885
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases ABL1, PRKCA, PRKCQ KCNH2 620/4885TSHR 3140/4885SIGMAR1 4023/4885
US-20260131016-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF FCGR2A, FCGR3B, AURKC KCNH2 4141/4885TSHR 142/4885SIGMAR1 2547/4885
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 KCNH2 979/4885TSHR 3307/4885SIGMAR1 3851/4885

“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.