SCHEMBL6275044

SCHEMBL6275044

NC(N)=NC(=O)CC1c2cc(C(F)(F)F)ccc2C(=O)N1CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.34
SLC9A1 P19634 3/20 0.33
SLC9A5 Q14940 1/20 0.32
HTR6 P50406 1/20 0.32
CYP11B1 P15538 5/20 0.32
CYP11B2 P19099 5/20 0.32
ATM Q13315 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ALDH2 P05091 2/20 0.31
ALDH3A1 P30838 2/20 0.31
PLAU P00749 1/20 0.30
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL13079029 1.00 BACE1 (0.34) BACE1SLC9A1SLC9A5HTR6CYP11B1
SCHEMBL13708600 0.92 SLC9A1 (0.34) BACE1SLC9A1HTR6ATMALDH1A1
SCHEMBL13708607 0.89 SCN5A (0.34) BACE1SLC9A1SLC9A5HTR6ATM
SCHEMBL13708583 0.86 SLC9A1 (0.35) BACE1SLC9A1HTR6CYP11B1CYP11B2
SCHEMBL13708560 0.86 CACNA1B (0.35) BACE1SLC9A1SLC9A5CYP11B1CYP11B2
SCHEMBL4179228 0.85 CTDSP1 (0.41) CYP11B1CYP11B2
SCHEMBL4179224 0.85 CTDSP1 (0.41) CYP11B1CYP11B2
SCHEMBL13708597 0.84 HTR6 (0.33) HTR6
SCHEMBL13708591 0.83 HTR2B (0.32) BACE1HTR6LMNA
SCHEMBL4185595 0.82 ALDH1A1 (0.35) CYP11B1CYP11B2ALDH1A1ALDH2ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283374-B2 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-8283374-B2 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-7589117-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-15 US disclosed
US-7589117-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-15 US disclosed
US-20090203761-A1 PROCESS FOR PREPARING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-13 US disclosed
US-20090203761-A1 PROCESS FOR PREPARING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-13 US disclosed
US-7531569-B2 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
US-7531569-B2 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
EP-1692105-B1 METHOD FOR PRODUCING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-05-14 EP disclosed
EP-1528923-A1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS Aventis Pharma Deutschland GmbH (DE) 2005-05-11 EP disclosed
WO-2003101450-A1 N- ((3-OXO2, 3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYL) GUANIDINE DERIVATIVES AS NHE-1 INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-11 WO 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 (1 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-20090203761-A1 PROCESS FOR PREPARING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES OGT, B3GNT2, UGT1A9 BACE1 3528/4885SLC9A1 3096/4885SLC9A5 3729/4885

“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.