SCHEMBL4481397

SCHEMBL4481397

CC(C)CN1C(=O)c2cc(Br)ccc2C1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CACNA1B Q00975 4/20 0.37
KMT2A Q03164 1/20 0.37
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
CUL4A Q13619 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CES1 P23141 1/20 0.35
MAPK1 P28482 2/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL6234872 0.95 KDM4E (0.41) KDM4EPOLBALOX15ALDH1A1GAA
SCHEMBL4473294 0.89 CACNA1B (0.37) KDM4EPOLBALOX15ALDH1A1CACNA1B
SCHEMBL4459450 0.84 KDM4E (0.46) KDM4EPOLBALOX15ALDH1A1GAA
SCHEMBL4477266 0.83 KDM4E (0.45) KDM4EPOLBALOX15ALDH1A1GAA
SCHEMBL25098665 0.82 KDM4E (0.44) KDM4EPOLBALOX15ALDH1A1GAA
SCHEMBL4486595 0.81 KDM4E (0.43) KDM4EPOLBALOX15ALDH1A1GAA
SCHEMBL4473969 0.80 EDNRB (0.38) KDM4EPOLBALOX15ALDH1A1CACNA1B
SCHEMBL4468989 0.79 HPGD (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6234847 0.79 HPGD (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL4484789 0.78 HPGD (0.40) KDM4EPOLBALOX15ALDH1A1GAA

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 KDM4E 4143/4885POLB 1575/4885ALOX15 409/4885
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 4213/4885POLB 1717/4885ALOX15 368/4885

“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.