SCHEMBL2955843

SCHEMBL2955843

O=C1COc2cc(Br)c(Br)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.54
PARP1 P09874 3/20 0.50
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 4/20 0.45
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
PKM P14618 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
NR3C2 P08235 2/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL30015636 0.86 MMP12 (0.49) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL18152757 0.86 MMP12 (0.49) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3342717 0.86 MMP12 (0.49) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1853066 0.86 MMP12 (0.57) MMP12PARP1ALDH1A1KMT2AMAPT
SCHEMBL5914785 0.86 NR3C2 (0.51) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL24286262 0.86 MMP12 (0.49) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8192799 0.86 NR3C2 (0.51) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL18264334 0.86 MMP12 (0.49) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL21552385 0.86 MMP12 (0.49) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL305188 0.86 MMP12 (0.57) MMP12PARP1ALDH1A1KMT2ASMN1; SMN2

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 7 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-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
EP-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP 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

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 MMP12 436/4885PARP1 4070/4885ALDH1A1 4201/4885
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 MMP12 436/4885PARP1 4070/4885ALDH1A1 4201/4885
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 MMP12 591/4885PARP1 4313/4885ALDH1A1 290/4885

“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.