SCHEMBL7026891

SCHEMBL7026891

C[n+]1c2ccccc2cc2c(-c3cccc4c3cc3ccccc3[n+]4C)cccc21.O=[N+]([O-])[O-].O=[N+]([O-])[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.38
▸ ATM Q13315 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TERT O14746 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RXRA P19793 1/20 0.32
▸ HPRT1 P00492 1/20 0.32

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
SCHEMBL9696995 0.86 ALDH1A1 (0.40) ACHEATMCYP3A4ALDH1A1KDM4E
SCHEMBL19329417 0.84 ATM (0.50) ACHEATMCYP3A4ALDH1A1KDM4E
SCHEMBL2315874 0.84 ATM (0.50) ACHEATMCYP3A4ALDH1A1KDM4E
SCHEMBL28273210 0.75 CYP1A2 (0.40) ACHEKDM4EMAPTHTTTERT
SCHEMBL2773903 0.74 CYP2A6 (0.48) ACHEATMALDH1A1MAPTHTT
Perchlorate SCHEMBL31344129 0.74 ACHE (0.36) ACHENPC1RAB9ATERT
SCHEMBL29562542 0.73 ACHE (0.59) ACHEKDM4EMAPTNPC1S1PR4
SCHEMBL29240 0.73 ACHE (0.59) ACHEKDM4EMAPTNPC1S1PR4
Iodide SCHEMBL3905319 0.73 CYP2A6 (0.47) ACHEATMALDH1A1MAPTHTT
SCHEMBL28257139 0.73 CYP1A2 (0.47) ACHEATMMAPTRAB9ATERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3478792-B1 CHEMILUMINESCENT SUBSTRATES BECKMAN COULTER INC (US) 2023-12-13 — — EP disclosed
US-10703971-B2 Chemiluminescent substrates BECKMAN COULTER, INC. (US) 2020-07-07 — — US disclosed
US-20190161675-A1 CHEMILUMINESCENT SUBSTRATES BECKMAN COULTER, INC. (US) 2019-05-30 — — US disclosed
EP-3478792-A1 CHEMILUMINESCENT SUBSTRATES Beckman Coulter Inc. (US) 2019-05-08 — — EP disclosed
WO-2018006059-A1 CHEMILUMINESCENT SUBSTRATES BECKMAN COULTER, INC. (US) 2018-01-04 — — WO disclosed
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
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

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 ACHE 87/4885ATM 3277/4885CYP3A4 1230/4885

“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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