SCHEMBL4473294

SCHEMBL4473294

CC(C)CN1C(=O)c2ccc(Br)cc2C1O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
PRMT5 O14744 4/20 0.36
WDR77 Q9BQA1 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
MCL1 Q07820 2/20 0.35
BCL2 P10415 1/20 0.35
PKM P14618 1/20 0.35
TDP2 O95551 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
SCHEMBL6234872 0.95 KDM4E (0.41) CACNA1BPOLBKDM4EALOX15PRMT5
SCHEMBL4481397 0.89 KDM4E (0.45) CACNA1BPOLBKDM4EALOX15KMT2A
SCHEMBL4459334 0.84 NPC1 (0.39) CACNA1BPOLBKDM4EALOX15MEN1
SCHEMBL4466267 0.83 LMNA (0.41) CACNA1BPOLBKDM4EALOX15LMNA
SCHEMBL4469438 0.82 ALDH1A1 (0.40) POLBKDM4EALOX15LMNAHPGD
SCHEMBL4473695 0.80 AKR1B1 (0.40) CACNA1BPRMT5WDR77MEN1KMT2A
SCHEMBL6270501 0.80 KMT2A (0.38) POLBKDM4EALOX15MEN1KMT2A
SCHEMBL4468920 0.80 KMT2A (0.38) POLBKDM4EALOX15MEN1KMT2A
SCHEMBL4465394 0.80 CACNA1B (0.40) CACNA1BPOLBKDM4EALOX15LMNA
SCHEMBL6234847 0.79 HPGD (0.55) MEN1KMT2ALMNAHPGDALDH1A1

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 CACNA1B 1457/4885POLB 1575/4885KDM4E 4143/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 CACNA1B 1330/4885POLB 1717/4885KDM4E 4213/4885

“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.