SCHEMBL4467461

SCHEMBL4467461

CC(C)CN1C(=O)c2ccc(Br)cc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 2/20 0.43

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
SCHEMBL6234799 1.00 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL4463139 0.83 MEN1 (0.60) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL4471054 0.81 RAB9A (0.59) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL6254603 0.81 RAB9A (0.59) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL585483 0.80 POLB (0.57) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL13143053 0.79 CASP1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL6233411 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL4473721 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL30403478 0.79 CUL4A (0.62) ALDH1A1MAPT
SCHEMBL22667216 0.79 CUL4A (0.62) ALDH1A1MAPT

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 ALDH1A1 243/4885MEN1 3950/4885KMT2A 4795/4885
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 185/4885MEN1 3718/4885KMT2A 4806/4885

“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.