SCHEMBL4473169

SCHEMBL4473169

N=C(N)NC(=O)CC1c2cc(C(F)(F)F)ccc2C(=O)N1CC1CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.35
CYP11B2 P19099 5/20 0.35
ALDH1A1 P00352 2/20 0.34
ALDH2 P05091 2/20 0.34
ALDH3A1 P30838 2/20 0.34
LIPC P11150 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
ICMT O60725 1/20 0.34
NAMPT P43490 1/20 0.33
CRHR1 P34998 4/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
CNR2 P34972 1/20 0.32
CRHR2 Q13324 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
GRM5 P41594 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL4473805 1.00 CYP11B1 (0.35) CYP11B1CYP11B2ALDH1A1ALDH2ALDH3A1
SCHEMBL4473718 1.00 CYP11B1 (0.35) CYP11B1CYP11B2ALDH1A1ALDH2ALDH3A1
SCHEMBL4463367 0.92 ALDH1A1 (0.36) CYP11B1CYP11B2ALDH1A1ALDH2ALDH3A1
SCHEMBL4185595 0.87 ALDH1A1 (0.35) CYP11B1CYP11B2ALDH1A1ALDH2ALDH3A1
SCHEMBL4181329 0.87 ALDH1A1 (0.35) CYP11B1CYP11B2ALDH1A1ALDH2ALDH3A1
SCHEMBL1385654 0.87 ALDH1A1 (0.35) CYP11B1CYP11B2ALDH1A1ALDH2ALDH3A1
SCHEMBL4460047 0.85 SCN5A (0.35) CYP11B1CYP11B2ALDH1A1ALDH2ALDH3A1
SCHEMBL4460053 0.85 SCN5A (0.35) CYP11B1CYP11B2ALDH1A1ALDH2ALDH3A1
SCHEMBL4469069 0.85 SCN5A (0.35) CYP11B1CYP11B2ALDH1A1ALDH2ALDH3A1
SCHEMBL4480605 0.85 MDM2 (0.38) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1290833-C N- ((3-oxo2, 3-dihydro-1H-isoindol-1-yl) acetyl) guanidine derivatives as NHE-1 inhibitors for the treatment of infarction and angina pectoris SANOFI AVENTIS PHARMA GMBH (DE) 2006-12-20 CN 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
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-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-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
CN-1290833-C N- ((3-oxo2, 3-dihydro-1H-isoindol-1-yl) acetyl) guanidine derivatives as NHE-1 inhibitors for the treatment of infarction and angina pectoris SANOFI AVENTIS PHARMA GMBH (DE) 2006-12-20 CN disclosed
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 disclosed
US-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 US disclosed
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 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 (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-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 CYP11B1 9/4885CYP11B2 13/4885ALDH1A1 243/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 CYP11B1 8/4885CYP11B2 18/4885ALDH1A1 185/4885

“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.