SCHEMBL4473695

SCHEMBL4473695

CC(C)CN1C(=O)c2ccc(Br)cc2C1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
MCL1 Q07820 2/20 0.37
BCL2 P10415 1/20 0.35
BCL2L2 Q92843 1/20 0.35
FFAR1 O14842 2/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MDM2 Q00987 2/20 0.34
DNMT1 P26358 1/20 0.34
TDP2 O95551 1/20 0.34
CACNA1B Q00975 3/20 0.34
PRMT5 O14744 3/20 0.34
WDR77 Q9BQA1 3/20 0.34
TP53 P04637 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
SCHEMBL4473969 0.90 EDNRB (0.38) AKR1B1MCL1BCL2BCL2L2FFAR1
SCHEMBL4476857 0.86 NPC1 (0.40) FFAR1ALDH1A1MEN1KMT2AMDM2
SCHEMBL4466269 0.85 MDM2 (0.45) FFAR1MDM2TP53
SCHEMBL6234016 0.85 TDP2 (0.42) MCL1ALDH1A1TSHRMEN1KMT2A
SCHEMBL13708557 0.85 PLAU (0.33) AKR1B1MCL1BCL2BCL2L2FFAR1
SCHEMBL4473163 0.83 MCL1 (0.39) MCL1FFAR1ALDH1A1MDM2DNMT1
SCHEMBL4463995 0.82 ALDH1A1 (0.32) MCL1ALDH1A1TSHRMEN1KMT2A
SCHEMBL4470665 0.82 CTDSP1 (0.41) ALDH1A1CACNA1BTP53
SCHEMBL4469078 0.82 TOP1 (0.44) FFAR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL4473294 0.80 CACNA1B (0.37) MCL1BCL2ALDH1A1TSHRMEN1

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 AKR1B1 122/4885MCL1 1220/4885BCL2 683/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 AKR1B1 98/4885MCL1 1074/4885BCL2 795/4885

“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.