SCHEMBL7028209

SCHEMBL7028209

O=C(O)c1c2ccccc2nc2c1ccc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
CYP2C19 P33261 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PDE10A Q9Y233 3/20 0.51
DHODH Q02127 4/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.47
MAOA P21397 1/20 0.46
MGAM O43451 1/20 0.44
WDR5 P61964 1/20 0.44
CYP2D6 P10635 1/20 0.44
LDHA P00338 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43

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
SCHEMBL7025593 0.82 MAPT (0.43) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL641899 0.81 PDE10A (0.66) KMT2AMEN1CYP2C19KDM4EALDH1A1
SCHEMBL29377848 0.81 PDE10A (0.66) KMT2AMEN1CYP2C19KDM4EALDH1A1
SCHEMBL8080052 0.79 ALDH1A1 (0.64) KMT2AMEN1CYP2C19KDM4EALDH1A1
SCHEMBL13313361 0.79 CYP1A2 (0.60) KMT2AMEN1CYP2C19KDM4EALDH1A1
Iodide SCHEMBL8029601 0.79 PDE10A (0.63) KMT2AMEN1CYP2C19KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1603404 0.79 PDE10A (0.63) KMT2AMEN1CYP2C19KDM4EALDH1A1
Iodide SCHEMBL8029606 0.79 PDE10A (0.63) KMT2AMEN1CYP2C19KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9597551 0.79 PDE10A (0.63) KMT2AMEN1CYP2C19KDM4EALDH1A1
Water SCHEMBL2991911 0.79 PDE10A (0.63) KMT2AMEN1CYP2C19KDM4EALDH1A1

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
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-6110910-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANTIRHEUMATIC AGENTS, ANTICARCINOGENIC AGENTS DUPONT PHARMACEUTICALS (US) 2000-08-29 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
US-5639759-A ORGAN TRANSPLANTATION; AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS; SKIN DISORDERS; ANTIARTHRITIC AGENTS; ANTICANCER AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-17 US disclosed
US-5428040-A Carbocyclic fused-ring quinolinecarboxylic acids useful as immunosuppressive agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-27 US disclosed
WO-1995006640-A1 CARBOCYCLIC AND HETEROCYCLIC FUSED-RING QUINOLINECARBOXYLIC ACIDS USEFUL AS IMMUNOSUPPRESSIVE AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-03-09 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 KMT2A 4778/4885MEN1 4650/4885CYP2C19 2031/4885

“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.