SCHEMBL7022667

SCHEMBL7022667

Cc1cccc(C)c1OC(=S)C1c2ccccc2N(C)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
EGFR P00533 2/20 0.38
SRC P12931 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
ACHE P22303 4/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HRH1 P35367 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL8740676 0.85 HDAC4 (0.41) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7752453 0.84 HDAC4 (0.43) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL6254107 0.82 HDAC4 (0.51) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL38664478 0.82 HDAC4 (0.51) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL5161928 0.80 HDAC4 (0.47) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7027782 0.78 MAPT (0.39) EGFRMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL7758345 0.77 HDAC4 (0.47) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7755709 0.77 HDAC4 (0.44) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7025463 0.77 HDAC4 (0.44) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL8331385 0.76 HDAC4 (0.50) HDAC4HDAC7HDAC5EGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755457-B1 Novel Aryl-N-Alkylacridanthiocarboxylate derivatives useful for chemiluminescent detection LUMIGEN INC (US) 2001-02-21 EP claimed
US-5523212-A OXIDATION WITH PEROXIDE AND PEROXIDASE TO EXCITED ACRIDONE DERIVATIVE; DETECTING PROTEINS, HAPTENS, ANTIBODIES, ENZYMES LUMIGEN, INC. (US) 1996-06-04 US claimed
US-6635437-B2 Useful in methods for producing light and in assays for phosphatase enzymes and enzyme inhibitors and in assays employing enzyme-labeled specific binding pairs LUMIGEN, INC. 2003-10-21 US disclosed
EP-0819119-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN INC (US) 2003-04-02 EP disclosed
US-20030023089-A1 Compounds, compositions and methods for generating chemiluminescence with phosphatase enzymes AKHAVAN-TAFTI HASHEM (US) 2003-01-30 US disclosed
US-6296787-B1 ACRIDINE AND PHENANTHRIDINE ALKENYL PHOSPHATE DERIVATIVES LUMIGEN, INC. 2001-10-02 US disclosed
US-6270695-B1 HETEROCYCLIC COMPOUNDS WITH EXOCYCLIC DOUBLE BOND HAVING PHOSPHATE GROUP ATTACHED TO DISTAL CARBON; DETECTION SENSITIVITY LUMIGEN, INC. 2001-08-07 US disclosed
US-6218137-B1 SENSITIVE QUANTITATIVE ANALYSIS USING COMPOUND HAVING A HETEROCYCLIC RING SYSTEM BEARING AN EXOCYCLIC CARBON-CARBON DOUBLE BOND WHICH IS SUBSTITUTED AT DISTAL CARBON WITH PHOSPHATE GROUP AND OXYGEN OR SULFUR GROUP LUMIGEN, INC. 2001-04-17 US disclosed
EP-0755457-B1 Novel Aryl-N-Alkylacridanthiocarboxylate derivatives useful for chemiluminescent detection LUMIGEN INC (US) 2001-02-21 EP disclosed
US-6139782-A A CHEMILUMINESCENT CONTAINING A HETEROCYCLIC RING GROUP AND AN ENOL PHOSPHATE GROUP WHICH REACT WITH OXYGEN UPON REMOVAL OF PHOSPHATE GROUP WITH A PHOSPHATASE ENZYME TO PRODUCE AN ENOLATE WHICH REACTS WITH TO PRODUCE CHEMILUMINOESCENCE LUMIGEN, INC. (US) 2000-10-31 US disclosed
US-6090571-A REACTING PHOSPHATASE WITH NITROGEN-CONTAINING HETEROCYCLIC RING SYSTEM HAVING AN ENOL PHOSPHATE GROUP, DETECTING THE CHEMILUMINESCENCE, AND RELATING TO AMOUNT OF ANALYTE LUMIGEN, INC. (US) 2000-07-18 US disclosed
US-6045727-A NITROGEN CONTAINING HETEROCYCLIC RING SYSTEM BEARING AN EXOCYCLIC CARBON-CARBON DOUBLE BOND. THE DOUBLE BOND IS FURTHER SUBSTITUTED AT THE DISTAL CARBON WITH A PHOSPHATE GROUP AND AN OXYGEN OR SULFUR ATOM-CONTAINING GROUP. LUMIGEN, INC. (US) 2000-04-04 US disclosed
EP-0819119-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN INC (US) 1999-04-14 EP disclosed
EP-0819119-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN, INC. (US) 1998-01-21 EP disclosed
WO-1997026245-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN, INC. (US) 1997-07-24 WO disclosed
US-5523212-A OXIDATION WITH PEROXIDE AND PEROXIDASE TO EXCITED ACRIDONE DERIVATIVE; DETECTING PROTEINS, HAPTENS, ANTIBODIES, ENZYMES LUMIGEN, INC. (US) 1996-06-04 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 (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-20030023089-A1 Compounds, compositions and methods for generating chemiluminescence with phosphatase enzymes PPP6C, PPP4C, PPP2CA HDAC4 4216/4885HDAC7 4375/4885HDAC5 3776/4885

“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.