SCHEMBL4476768

SCHEMBL4476768

N=C(N)NC(=O)C[C@@H]1c2ccc(Cl)cc2C(=O)N1CCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
P2RX7 Q99572 2/20 0.32
ALDH3A1 P30838 2/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CCR4 P51679 2/20 0.31
NOTCH1 P46531 1/20 0.31
NOTCH3 Q9UM47 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4468671 1.00 SCN5A (0.33) SCN5ASCN9AP2RX7ALDH3A1KDM4E
SCHEMBL4473545 1.00 SCN5A (0.33) SCN5ASCN9AP2RX7ALDH3A1KDM4E
SCHEMBL4471269 0.94 P2RX7 (0.31) P2RX7ALDH3A1KDM4EHPGDCCR4
SCHEMBL4468598 0.94 P2RX7 (0.31) P2RX7ALDH3A1KDM4EHPGDCCR4
SCHEMBL4472859 0.94 P2RX7 (0.31) P2RX7ALDH3A1KDM4EHPGDCCR4
SCHEMBL4473439 0.92 SCN5A (0.35) SCN5ASCN9AP2RX7ALDH3A1
SCHEMBL4473435 0.92 SCN5A (0.35) SCN5ASCN9AP2RX7ALDH3A1
SCHEMBL4483952 0.92 SCN5A (0.35) SCN5ASCN9AP2RX7ALDH3A1
SCHEMBL4474105 0.90 P2RX7 (0.37) P2RX7ALDH3A1KDM4EHPGDCCR4
SCHEMBL4462641 0.88 ALDH1A1 (0.36) SCN5ASCN9AALDH3A1KDM4ENOTCH1

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 1749/4885P2RX7 690/4885
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 1811/4885P2RX7 665/4885

“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.