SCHEMBL94520

SCHEMBL94520

O=c1cc(OCc2ccc(F)cc2F)cc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.54
ABL1 P00519 1/20 0.54
PPARG P37231 1/20 0.54
RIN1 Q13671 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
MAOB P27338 1/20 0.51
GSK3B P49841 2/20 0.47
BACE1 P56817 2/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL94569 0.86 NSD2 (0.51) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL4539829 0.84 NSD2 (0.63) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL6683297 0.84 NSD2 (0.55) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL1003510 0.80 NSD2 (0.71) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL4380236 0.77 MAOB (0.52) MAOBGSK3BBACE1IDO1AGXT
SCHEMBL94547 0.77 NSD2 (0.51) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL94421 0.75 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL14151016 0.75 NSD2 (0.63) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL154969 0.73 NSD2 (0.54) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL4384779 0.73 MAPK14 (0.50) MAOBIDO1AGXTMAPK14

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073925-B2 Azinone-substituted azabicycloalkane-indole and azabicycloalkane-pyrrolo-pyridine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-07-07 US disclosed
US-9073925-B2 Azinone-substituted azabicycloalkane-indole and azabicycloalkane-pyrrolo-pyridine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-07-07 US disclosed
US-9073925-B2 Azinone-substituted azabicycloalkane-indole and azabicycloalkane-pyrrolo-pyridine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-07-07 US disclosed
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
US-8637501-B2 Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-28 US disclosed
US-8637501-B2 Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-28 US disclosed
US-8637501-B2 Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-28 US disclosed
US-8629158-B2 Azabicycloalkane-indole and azabicycloalkane-pyrrolo-pyridine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-14 US disclosed
CN-100486576-C Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2009-05-13 CN disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
CN-1646125-A Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2005-07-27 CN disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP disclosed
EP-1472272-A1 CRYSTALLINE COMPLEXES OF FLUTICASONE 2-FUROATE GLAXO GROUP LIMITED (GB) 2004-11-03 EP disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO disclosed
WO-2003066656-A1 CRYSTALLINE COMPLEXES OF FLUTICASONE 2-FUROATE GLAXO GROUP LIMITED (GB) 2003-08-14 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 (2 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 NSD2 4745/4885ABL1 614/4885PPARG 1624/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 NSD2 4720/4885ABL1 502/4885PPARG 1569/4885

“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.