SCHEMBL1980551

SCHEMBL1980551

O=C1NC(=O)C(F)(F)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.37
OGT O15294 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP13 P45452 1/20 0.32
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
GABRB3 P28472 1/20 0.30
OPRD1 P41143 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL11278121 0.73 LMNA (0.43) LMNAKDM4EOGTUSP2MAPT
SCHEMBL2873513 0.66
SCHEMBL137702 0.64 LMNA (0.41) LMNAKDM4EOGTUSP2MAPT
SCHEMBL10507443 0.64 LMNA (0.41) LMNAKDM4EOGTUSP2MAPT
SCHEMBL472442 0.64 LMNA (0.41) LMNAKDM4EOGTUSP2MAPT
SCHEMBL10827106 0.64 PYGM (0.34)
Water SCHEMBL2773218 0.62 LMNA (0.39) LMNAKDM4EOGTUSP2MAPT
Dimethylbarbiturate SCHEMBL31271990 0.62 LMNA (0.46) LMNAKDM4EOGTUSP2MAPT
SCHEMBL8609376 0.62 LMNA (0.39) LMNAKDM4EOGTUSP2MAPT
SCHEMBL4875346 0.62 LMNA (0.39) LMNAKDM4EOGTUSP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114430068-A Lithium ion battery electrolyte 深圳市研一新材料有限责任公司 2022-05-03 CN disclosed
EP-2059519-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2013-12-18 EP disclosed
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PALANI ANANDAN 2011-06-23 US disclosed
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-09 US disclosed
US-7737155-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-06-15 US disclosed
EP-2059519-A2 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-05-20 EP disclosed
WO-2008060476-A2 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-22 WO disclosed
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 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-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 LMNA 440/4885KDM4E 2599/4885OGT 942/4885
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 LMNA 440/4885KDM4E 2599/4885OGT 942/4885
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 LMNA 440/4885KDM4E 2599/4885OGT 942/4885

“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.