SCHEMBL7032110

SCHEMBL7032110

O=C(Oc1ccccc1)C1c2ccccc2Nc2c1ccc1ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RCE1 Q9Y256 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
FABP7 O15540 4/20 0.36
FABP3 P05413 4/20 0.36
FABP5 Q01469 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
WDR5 P61964 1/20 0.34
EPHX1 P07099 1/20 0.34
SLC1A3 P43003 1/20 0.34

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
SCHEMBL27487537 0.82 CYP1A2 (0.46) KDM4ENPC1MAPTRAB9ATDP1
SCHEMBL5805590 0.76 MAPT (0.52) KDM4ENPC1RXFP1MAPTRAB9A
SCHEMBL7026711 0.73 CYP1A2 (0.42) KDM4ENPC1MAPTRAB9ATDP1
SCHEMBL7021677 0.71 HDAC4 (0.40) KDM4EMAPTRAB9ATDP1MEN1
SCHEMBL12724361 0.68 CYP1A2 (0.49) TDP1CYP1A2CYP2C9CYP2C19FABP7
SCHEMBL14665300 0.65 ALDH1A1 (0.44) KDM4ENPC1MAPTRAB9ATDP1
SCHEMBL38665307 0.65 CYP1A2 (0.73) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL12724363 0.65 CYP1A2 (0.73) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6024348 0.64 EGFR (0.49) KDM4ENPC1MAPTRAB9ATDP1
SCHEMBL2995499 0.63 ALDH1A1 (0.53) KDM4ENPC1MAPTRAB9ATDP1

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 9 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-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

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 KDM4E 3418/4885NPC1 4285/4885RXFP1 4593/4885

“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.