SCHEMBL94547

SCHEMBL94547

O=c1cc(OCc2ncc(F)cc2F)cc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.51
ABL1 P00519 1/20 0.51
PPARG P37231 1/20 0.51
RIN1 Q13671 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
MCHR1 Q99705 5/20 0.43
MAPK1 P28482 10/20 0.35
MAPK14 Q16539 10/20 0.35
MAPKAPK5 Q8IW41 10/20 0.35
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
ALK Q9UM73 1/20 0.33
SOD1 P00441 1/20 0.33
DAO P14920 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
SCHEMBL1003252 0.81 NSD2 (0.55) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL94421 0.79 NSD2 (0.52) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL94520 0.77 NSD2 (0.54) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL30849368 0.77 MCHR1 (0.41) MCHR1MAPK1MAPK14MAPKAPK5SOD1
SCHEMBL29207139 0.77 MCHR1 (0.41) MCHR1MAPK1MAPK14MAPKAPK5SOD1
SCHEMBL1004869 0.75 L3MBTL1 (0.51) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL1003510 0.75 NSD2 (0.71) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL30527373 0.73 ALK (0.39) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL6683297 0.72 NSD2 (0.55) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL14151016 0.72 NSD2 (0.63) NSD2ABL1PPARGRIN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2448585-B1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2014-01-01 EP disclosed
EP-2448585-B1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2014-01-01 EP disclosed
US-8618299-B2 Azinone-substituted azapolycycle MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-12-31 US disclosed
EP-2448585-A1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-05-09 EP disclosed
US-20120058940-A9 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-03-08 US disclosed
US-20120058940-A9 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-03-08 US disclosed
US-20120058940-A9 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-03-08 US disclosed
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
WO-2011003005-A1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 WO disclosed
WO-2011003005-A1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 WO disclosed
WO-2011003012-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 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 (3 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-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 NSD2 2702/4885ABL1 4037/4885PPARG 2438/4885
US-20120058940-A9 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 NSD2 2702/4885ABL1 4037/4885PPARG 2438/4885
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, HTR1E NSD2 3058/4885ABL1 3651/4885PPARG 2453/4885

“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.