SCHEMBL2957573

SCHEMBL2957573

COc1ccc(O)c(NC(=O)CBr)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 5/20 0.50
MAPT P10636 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC1 Q13547 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL7995984 0.82 KMT2A (0.53) KMT2AMEN1L3MBTL1ALDH1A1NPSR1
SCHEMBL2951134 0.81 WDR5 (0.50) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL7256606 0.80 KMT2A (0.50) KMT2AMEN1L3MBTL1ALDH1A1NPSR1
SCHEMBL10192040 0.80 GAA (0.67) KMT2AMEN1GAAMAPTMAPK1
SCHEMBL2856689 0.80 LMNA (0.55) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL8692215 0.79 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL10504245 0.77 MAOB (0.52) ALDH1A1GAAMAPTCYP1A2MAPK1
SCHEMBL14930228 0.77 KMT2A (0.55) KMT2AMEN1L3MBTL1ALDH1A1NPSR1
SCHEMBL6942045 0.77 HSP90AA1 (0.64) KMT2AMEN1L3MBTL1ALDH1A1NPSR1
SCHEMBL7254155 0.77 ALDH1A1 (0.54) KMT2AMEN1L3MBTL1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 US disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 US disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 US disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 US disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 US disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 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 (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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 KMT2A 4436/4885MEN1 1421/4885L3MBTL1 4749/4885
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 KMT2A 4436/4885MEN1 1421/4885L3MBTL1 4749/4885
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension UTS2R, PLAUR, FABP3 KMT2A 1568/4885MEN1 3963/4885L3MBTL1 3621/4885

“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.