SCHEMBL6931307

SCHEMBL6931307

S=C(Oc1ccc(Cl)cc1)c1c2ccccc2nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MMP14 P50281 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL7756511 0.89 KDM4E (0.48) MAPTTP53MAOAMAOBALDH1A1
SCHEMBL7027183 0.84 POLB (0.51) MAPTTP53ALDH1A1GAAKMT2A
SCHEMBL7030411 0.84 SCN9A (0.43) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL8151119 0.81 MAPT (0.55) MAPTTP53THRBMAOAMAOB
SCHEMBL7757071 0.81 ESR1 (0.41) MAPTMAOBALDH1A1GAAKMT2A
SCHEMBL6930359 0.78 MAOA (0.43) MAPTMAOAMAOBALDH1A1GAA
SCHEMBL7755746 0.78 MAOA (0.43) MAPTMAOAMAOBALDH1A1GAA
SCHEMBL7755153 0.77 CA12 (0.37) MAPTTP53GAAKMT2AMEN1
SCHEMBL7756508 0.74 KMT2A (0.46) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL28415280 0.74 CES2 (0.45) MAPTALDH1A1KMT2AMEN1L3MBTL1

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 14 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-1054933-A4 CHEMILUMINESCENT REACTIONS USING DIHYDROXYAROMATIC COMPOUNDS AND HETEROCYCLIC ENOL PHOSPHATES LUMIGEN INC (US) 2003-07-09 EP 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-1054933-A1 CHEMILUMINESCENT REACTIONS USING DIHYDROXYAROMATIC COMPOUNDS AND HETEROCYCLIC ENOL PHOSPHATES LUMIGEN, INC. (US) 2000-11-29 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
WO-1999040161-A1 CHEMILUMINESCENT REACTIONS USING DIHYDROXYAROMATIC COMPOUNDS AND HETEROCYCLIC ENOL PHOSPHATES LUMIGEN, INC. (US) 1999-08-12 WO disclosed
US-5840963-A HALOGEN-SUBSTITUTED HYDROQUINONES HAVING ONE HYDROXY GROUP PROTECTED BY PHOSPHATE GROUP LUMIGEN, INC. (US) 1998-11-24 US disclosed
US-5772926-A ANALYSIS OF HYDROLYTIC ENZYMES AND ENZYME INHIBITORS; LABELED BINDING PAIRS LUMIGEN, INC. (US) 1998-06-30 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 MAPT 4864/4885TP53 1299/4885THRB 4236/4885

“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.