SCHEMBL5658435

SCHEMBL5658435

COc1cccc(N2C(=O)C(=O)c3ccccc32)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
CES1 P23141 2/20 0.63
GAA P10253 2/20 0.63
CES2 O00748 1/20 0.63
BCHE P06276 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
MGLL Q99685 1/20 0.55
NR1H3 Q13133 3/20 0.50
ALDH3A1 P30838 1/20 0.50
NR1H2 P55055 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.48
SCN2A Q99250 1/20 0.48
TTR P02766 1/20 0.45
GFER P55789 1/20 0.44
CYP1A2 P05177 1/20 0.44
HTR1A P08908 2/20 0.44

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
SCHEMBL22969150 0.88 MGLL (0.55) ALDH1A1CES1GAACES2BCHE
SCHEMBL3047148 0.84 ALDH1A1 (0.67) ALDH1A1CES1GAACES2BCHE
SCHEMBL30758624 0.82 NR1H3 (0.67) ALDH1A1GAAMGLLNR1H3NR1H2
SCHEMBL4728822 0.82 NR1H3 (0.67) ALDH1A1GAAMGLLNR1H3NR1H2
SCHEMBL5351919 0.82 ALDH1A1 (0.58) ALDH1A1CES1GAACES2BCHE
SCHEMBL9332619 0.82 ALDH1A1 (0.58) ALDH1A1CES1GAACES2BCHE
SCHEMBL10399644 0.80 ALDH1A1 (0.50) ALDH1A1GAAMGLLNR1H3NR1H2
SCHEMBL10399645 0.80 ALDH1A1 (0.50) ALDH1A1GAAMGLLNR1H3NR1H2
SCHEMBL13223634 0.79 ESR1 (0.54) ALDH1A1CES1GAACES2BCHE
Phenyl Isatin SCHEMBL916808 0.78 CES1 (1.00) ALDH1A1CES1GAACES2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1946108-B1 HIGH QUANTUM YIELD ACRIDINIUM COMPOUNDS AND THEIR USES IN IMPROVING ASSAY SENSITIVITY SIEMENS HEALTHCARE DIAGNOSTICS (US) 2014-10-01 EP disclosed
US-7785904-B2 High quantum yield acridinium compounds and their uses in improving assay sensitivity SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2010-08-31 US disclosed
US-7785904-B2 High quantum yield acridinium compounds and their uses in improving assay sensitivity SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2010-08-31 US disclosed
US-20080014660-A1 High Quantum Yield Acridinium Compounds and Their Uses in Improving Assay Sensitivity BAYER HEALTHCARE LLC 2008-01-17 US disclosed
US-20080014660-A1 High Quantum Yield Acridinium Compounds and Their Uses in Improving Assay Sensitivity BAYER HEALTHCARE LLC 2008-01-17 US disclosed
US-7309615-B2 High quantum yield acridinium compounds and their uses in improving assay sensitivity SIEMENS MEDICAL SOLUTIONS DIAGNOSTIC (US) 2007-12-18 US disclosed
US-7309615-B2 High quantum yield acridinium compounds and their uses in improving assay sensitivity SIEMENS MEDICAL SOLUTIONS DIAGNOSTIC (US) 2007-12-18 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-20050054712-A1 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2005-03-10 US disclosed
EP-1487792-A1 DIHYDROINDOL-2-ONE DERIVATIVES AS STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-22 EP disclosed
WO-2003078394-A1 DIHYDROINDOL-2-ONE DERIVATIVES AS STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-25 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-20050054712-A1 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators NR3C2, NR5A1, NR5A2 ALDH1A1 723/4885CES1 1572/4885GAA 3885/4885

“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.