SCHEMBL4474014

SCHEMBL4474014

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
MDM2 Q00987 2/20 0.35
TP53 P04637 1/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL27552569 0.86 IDO1 (0.38) ALDH1A1L3MBTL1KMT2AMEN1BRD4
SCHEMBL13708564 0.85 PARP10 (0.33) FFAR4L3MBTL1KMT2AMEN1BRD4
SCHEMBL4468907 0.84 NPC1 (0.38) ALDH1A1L3MBTL1MDM2TP53KDM4E
SCHEMBL4479423 0.83 MDM2 (0.47) MDM2TP53KDM4EPOLBALOX15
SCHEMBL4473969 0.83 EDNRB (0.38) ALDH1A1KMT2AMEN1MDM2TP53
SCHEMBL4469652 0.83 KMT2A (0.34) ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL4466929 0.81 DNMT1 (0.38) ALDH1A1L3MBTL1MDM2TP53KDM4E
SCHEMBL4469078 0.80 TOP1 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL6090274 0.78 KDM4E (0.35) FFAR4ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL4476857 0.77 NPC1 (0.40) ATMALDH1A1L3MBTL1KMT2AMEN1

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 FFAR4 2397/4885ATM 2563/4885ALDH1A1 243/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 FFAR4 2484/4885ATM 2652/4885ALDH1A1 185/4885

“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.