SCHEMBL1385654

SCHEMBL1385654

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
ALDH3A1 P30838 4/20 0.35
ALDH2 P05091 2/20 0.35
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP11B1 P15538 5/20 0.31
CYP11B2 P19099 5/20 0.31
KDM4E B2RXH2 1/20 0.31
KCNH2 Q12809 2/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
BRD4 O60885 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
SCHEMBL4185595 1.00 ALDH1A1 (0.35) ALDH1A1ALDH3A1ALDH2LMNAALOX15
SCHEMBL4181329 1.00 ALDH1A1 (0.35) ALDH1A1ALDH3A1ALDH2LMNAALOX15
Fumaric Acid SCHEMBL4469315 0.94 ALDH1A1 (0.32) ALDH1A1ALDH3A1ALDH2LMNAALOX15
Fumaric Acid SCHEMBL4178710 0.93 ALDH1A1 (0.32) ALDH1A1ALDH3A1ALDH2
SCHEMBL4463077 0.92 ALDH1A1 (0.37) ALDH1A1ALDH3A1ALDH2LMNAALOX15
SCHEMBL4463085 0.92 ALDH1A1 (0.37) ALDH1A1ALDH3A1ALDH2LMNAALOX15
SCHEMBL4473322 0.92 ALDH1A1 (0.37) ALDH1A1ALDH3A1ALDH2LMNAALOX15
SCHEMBL4240395 0.91
SCHEMBL4460047 0.90 SCN5A (0.35) ALDH1A1ALDH3A1ALDH2LMNAALOX15
SCHEMBL4469069 0.90 SCN5A (0.35) ALDH1A1ALDH3A1ALDH2LMNAALOX15

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4809774-B2 2011-11-09 JP claimed
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 claimed
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 claimed
EP-1692105-A1 METHOD FOR PRODUCING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES Sanofi-Aventis Deutschland GmbH (DE) 2006-08-23 EP claimed
US-7078428-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-18 US claimed
EP-1528923-B1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-05-03 EP claimed
WO-2005054195-A1 METHOD FOR PRODUCING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-06-16 WO claimed
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 claimed
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUSCHLAND GMBH (DE) 2004-03-11 US claimed
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 claimed
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-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
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
WO-2005054195-A1 METHOD FOR PRODUCING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-06-16 WO disclosed
US-20050124681-A1 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-09 US 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
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUSCHLAND GMBH (DE) 2004-03-11 US 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 (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-20050124681-A1 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives OGG1, HBG2, OGDH ALDH1A1 188/4885ALDH3A1 268/4885ALDH2 823/4885
US-20090203761-A1 PROCESS FOR PREPARING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES OGT, B3GNT2, UGT1A9 ALDH1A1 13/4885ALDH3A1 57/4885ALDH2 182/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 ALDH1A1 185/4885ALDH3A1 398/4885ALDH2 311/4885

“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.