SCHEMBL4432608

SCHEMBL4432608

CC(=O)CN1C(=O)COc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 2/20 0.67
TSHR P16473 1/20 0.64
ALDH1A1 P00352 3/20 0.63
POLB P06746 2/20 0.62
LMNA P02545 1/20 0.62
ALOX12 P18054 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
CBX7 O95931 3/20 0.61
CDYL2 Q8N8U2 3/20 0.61
CDYL Q9Y232 3/20 0.61
CDY1; CDY1B Q9Y6F8 2/20 0.61
GAA P10253 3/20 0.60
TP53 P04637 1/20 0.60
HTT P42858 1/20 0.60
USP2 O75604 1/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL8225730 0.87 KMT2A (0.61) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL30808661 0.86 KMT2A (0.68) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL4970176 0.86 KMT2A (0.68) KMT2AMEN1TSHRALDH1A1POLB
Paraxazone SCHEMBL2108049 0.85 KMT2A (0.67) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL4968483 0.84 ALDH1A1 (0.66) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL24855220 0.82 CUL4A (0.55) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL2627034 0.82 USP2 (0.70) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL30808581 0.81 ALDH1A1 (0.66) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL14046919 0.81 TSHR (0.63) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL4972205 0.81 ALDH1A1 (0.59) KMT2AMEN1TSHRALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 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-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
EP-2049120-A1 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-04-22 EP disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 US disclosed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US disclosed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 WO disclosed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 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 (4 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 1421/4885TSHR 2055/4885
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 KMT2A 4436/4885MEN1 1421/4885TSHR 2055/4885
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 3963/4885TSHR 2508/4885
US-20080039454-A1 Urotensin II receptor antagonists UTS2R, PLAUR, NTSR2 KMT2A 3204/4885MEN1 2791/4885TSHR 527/4885

“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.