SCHEMBL4463077

SCHEMBL4463077

N=C(N)NC(=O)C[C@H]1c2ccc(C(F)(F)F)cc2C(=O)N1CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
ALDH3A1 P30838 6/20 0.37
ALDH2 P05091 4/20 0.37
KDM4E B2RXH2 1/20 0.33
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
IDO1 P14902 2/20 0.32
ATM Q13315 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
PPIA P62937 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31
EPHX1 P07099 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
SCHEMBL4463085 1.00 ALDH1A1 (0.37) ALDH1A1ALDH3A1ALDH2KDM4ELMNA
SCHEMBL4473322 1.00 ALDH1A1 (0.37) ALDH1A1ALDH3A1ALDH2KDM4ELMNA
SCHEMBL4185595 0.92 ALDH1A1 (0.35) ALDH1A1ALDH3A1ALDH2KDM4ELMNA
SCHEMBL4181329 0.92 ALDH1A1 (0.35) ALDH1A1ALDH3A1ALDH2KDM4ELMNA
SCHEMBL1385654 0.92 ALDH1A1 (0.35) ALDH1A1ALDH3A1ALDH2KDM4ELMNA
SCHEMBL4462634 0.90 ALDH1A1 (0.36) ALDH1A1ALDH3A1ALDH2KDM4ELMNA
SCHEMBL4462641 0.90 ALDH1A1 (0.36) ALDH1A1ALDH3A1ALDH2KDM4ELMNA
SCHEMBL4480290 0.90 ALDH1A1 (0.36) ALDH1A1ALDH3A1ALDH2KDM4ELMNA
SCHEMBL4464482 0.88 ALDH1A1 (0.35) ALDH1A1ALDH3A1ALDH2KDM4ELMNA
SCHEMBL4474105 0.88 P2RX7 (0.37) ALDH3A1KDM4EIDO1

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 ALDH1A1 243/4885ALDH3A1 453/4885ALDH2 286/4885
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.