SCHEMBL4460047

SCHEMBL4460047

N=C(N)NC(=O)C[C@@H]1c2cc(C(F)(F)F)ccc2C(=O)N1CCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
ALDH1A1 P00352 4/20 0.34
ALDH3A1 P30838 4/20 0.34
ALDH2 P05091 2/20 0.34
DCUN1D1 Q96GG9 1/20 0.32
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
KCNH2 Q12809 1/20 0.31
BRD4 O60885 1/20 0.31
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CNR2 P34972 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
SCHEMBL4460053 1.00 SCN5A (0.35) SCN5ASCN9AALDH1A1ALDH3A1ALDH2
SCHEMBL4469069 1.00 SCN5A (0.35) SCN5ASCN9AALDH1A1ALDH3A1ALDH2
SCHEMBL4473256 0.94 ALDH1A1 (0.33) SCN5ASCN9AALDH1A1ALDH3A1ALDH2
SCHEMBL4462634 0.92 ALDH1A1 (0.36) SCN5ASCN9AALDH1A1ALDH3A1ALDH2
SCHEMBL4462641 0.92 ALDH1A1 (0.36) SCN5ASCN9AALDH1A1ALDH3A1ALDH2
SCHEMBL4480290 0.92 ALDH1A1 (0.36) SCN5ASCN9AALDH1A1ALDH3A1ALDH2
SCHEMBL4185595 0.90 ALDH1A1 (0.35) SCN5ASCN9AALDH1A1ALDH3A1ALDH2
SCHEMBL4181329 0.90 ALDH1A1 (0.35) SCN5ASCN9AALDH1A1ALDH3A1ALDH2
SCHEMBL1385654 0.90 ALDH1A1 (0.35) SCN5ASCN9AALDH1A1ALDH3A1ALDH2
SCHEMBL4483952 0.88 SCN5A (0.35) SCN5ASCN9AALDH3A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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
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

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 SCN5A 149/4885SCN9A 1749/4885ALDH1A1 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 SCN5A 181/4885SCN9A 1811/4885ALDH1A1 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.