SCHEMBL4464677

SCHEMBL4464677

O=C1c2ccc(Cl)cc2C(=O)N1CCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.41
S100A4 P26447 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
NR1I2 O75469 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
ACHE P22303 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL4466822 0.83 NR1I2 (0.46) KDM4EALDH1A1S100A4NR1I2ADORA3
SCHEMBL4468796 0.81 KDM4E (0.42) KDM4EALDH1A1HTR2AMEN1KMT2A
SCHEMBL6150030 0.79 GLS (0.55) MAPTTDP1ACHE
SCHEMBL10779928 0.78 KDM4E (0.46) KDM4EALDH1A1S100A4MEN1KMT2A
SCHEMBL5878681 0.78 KDM4E (0.69) KDM4EALDH1A1S100A4MEN1KMT2A
SCHEMBL2884714 0.75 KDM4E (0.49) KDM4EALDH1A1HTR1ADRD2HTR2A
SCHEMBL9375873 0.75 KDM4E (0.49) KDM4EALDH1A1HTR1ADRD2HTR2A
SCHEMBL9383842 0.74 ALDH1A1 (0.48) KDM4EALDH1A1HTR1ADRD2HTR2A
SCHEMBL7216276 0.74 S100A4 (0.47) KDM4EALDH1A1S100A4HTR1ADRD2
SCHEMBL10451194 0.74 POLB (0.57) KDM4EALDH1A1S100A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-1658869-A N- ((3-oxo-2, 3-dihydro-1H-isoindol-1-yl) acetyl) guanidine derivatives as NHE-1 inhibitors for the treatment of infarcts and angina pectoris AVENTIS PHARMA GMBH (DE) 2005-08-24 CN 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 KDM4E 4143/4885ALDH1A1 243/4885S100A4 3753/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 KDM4E 4213/4885ALDH1A1 185/4885S100A4 3892/4885

“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.