SCHEMBL4473969

SCHEMBL4473969

CC(C)CN1C(=O)c2cc(Br)ccc2C1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
MDM2 Q00987 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
AKR1B1 P15121 1/20 0.35
CUL4A Q13619 1/20 0.35
MCL1 Q07820 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DNMT1 P26358 1/20 0.34
CACNA1B Q00975 4/20 0.34
FFAR1 O14842 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L2 Q92843 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4473695 0.90 AKR1B1 (0.40) MDM2TP53AKR1B1MCL1MEN1
SCHEMBL4468907 0.86 NPC1 (0.38) MDM2TP53KDM4EPOLBALOX15
SCHEMBL4479423 0.85 MDM2 (0.47) MDM2TP53KDM4EPOLBALOX15
SCHEMBL27528482 0.85 ALDH1A1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL13708556 0.84 SLC9A1 (0.32) EDNRBEDNRAKDM4EPOLBALOX15
SCHEMBL4474014 0.83 FFAR4 (0.40) MDM2TP53KDM4EPOLBALOX15
SCHEMBL4466929 0.83 DNMT1 (0.38) MDM2TP53KDM4EPOLBALOX15
SCHEMBL4462573 0.82 PSMB1 (0.34) EDNRBEDNRACUL4AMEN1KMT2A
SCHEMBL4474552 0.82 CTDSP1 (0.41) MDM2TP53KDM4EPOLBALOX15
SCHEMBL4469078 0.82 TOP1 (0.44) MEN1KMT2AFFAR1ALDH1A1

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-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
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 EDNRB 1484/4885EDNRA 1367/4885MDM2 1402/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 EDNRB 1506/4885EDNRA 1295/4885MDM2 1566/4885

“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.