SCHEMBL3054307

SCHEMBL3054307

O=C(O)C(=O)c1cn2c3c(cccc13)CCC2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
MTNR1A P48039 7/20 0.49
MTNR1B P49286 7/20 0.49
MCL1 Q07820 2/20 0.46
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
OPA1 O60313 1/20 0.41
EIF5B O60841 1/20 0.41
MET P08581 1/20 0.41
HMOX2 P30519 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL27989542 0.91 MTNR1A (0.40) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL1395799 0.88 HTR2A (0.52) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL2260099 0.87 HTR2A (0.52) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL2020434 0.84 MTNR1A (0.59) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL27977245 0.84 HTR2A (0.51) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL2023775 0.84 HTR2A (0.51) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL2261530 0.84 HTR2A (0.48) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL1719811 0.84 MTNR1A (0.51) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL8039755 0.82 HTR2A (0.49) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL13067746 0.82 HTR2A (0.49) HTR2AHTR2CMTNR1AMTNR1BMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000005-B2 Highly pure pyrroloquinolinyl-pyrrole-2,5-dione and pyrroloquinolinyl-pyrrolidine-2,5-dione and methods of preparing same ARQULE, INC. (US) 2015-04-07 US disclosed
EP-2841069-A1 HIGHLY PURE PYRROLOQUINOLINYL-PYRROLE-2,5-DIONE AND PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE AND METHODS OF PREPARING SAME ARQULE, INC. (US) 2015-03-04 EP disclosed
CN-101801961-B Pyrrolidinone, pyrrolidine-2, 5-dione, pyrrolidine and thiosuccinimide derivatives, compositions and methods for treatment of cancer ARQULE INC 2014-09-24 CN disclosed
WO-2013162714-A1 HIGHLY PURE PYRROLOQUINOLINYL-PYRROLE-2,5-DIONE AND PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE AND METHODS OF PREPARING SAME ARQULE, INC. (US) 2013-10-31 WO disclosed
US-20130281699-A1 Highly Pure Pyrroloquinolinyl-Pyrrole-2,5-Dione and Pyrroloquinolinyl-Pyrrolidine-2,5-Dione and Methods of Preparing Same ARQULE, INC. (US) 2013-10-24 US disclosed
CN-101941970-B Meleimide derivatives, pharmaceutical compositions and methods for treatment of cancer ARQULE INC 2013-08-21 CN disclosed
CN-101133055-B MELEIMIDE derivatives, pharmaceutical compositions and methods for treating cancer ARQULE INC 2011-05-25 CN disclosed
CN-101941970-A The MELEIMIDE derivative, pharmaceutical composition and the method that are used for the treatment of cancer ARQULE INC 2011-01-12 CN disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
WO-2009026446-A9 HDAC INHIBITORS ARQULE, INC. (US) 2010-03-11 WO disclosed
WO-2009026446-A2 HDAC INHIBITORS ARQULE, INC. (US) 2009-02-26 WO disclosed
CN-101133055-A MELEIMIDE derivatives, pharmaceutical compositions and methods for treating cancer ARQULE INC (US) 2008-02-27 CN 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-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 HTR2A 2994/4885HTR2C 3322/4885MTNR1A 2791/4885
US-20130281699-A1 Highly Pure Pyrroloquinolinyl-Pyrrole-2,5-Dione and Pyrroloquinolinyl-Pyrrolidine-2,5-Dione and Methods of Preparing Same DHPS, QDPR, IDO1 HTR2A 421/4885HTR2C 111/4885MTNR1A 1260/4885

“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.