SCHEMBL4473812

SCHEMBL4473812

CC(C)CN1C(=O)c2cc(Cl)c(Cl)cc2C1CC(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.35
MDM2 Q00987 2/20 0.33
TP53 P04637 1/20 0.33
TRPA1 O75762 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
P2RX7 Q99572 2/20 0.32
AADAT Q8N5Z0 1/20 0.32
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4466885 0.90 FFAR1 (0.38) FFAR1MDM2TP53TRPA1KDM4E
SCHEMBL13708566 0.83 FFAR1 (0.34) FFAR1P2RX7HPGDLMNA
SCHEMBL4462577 0.81 P2RX7 (0.32) FFAR1P2RX7
SCHEMBL4484789 0.80 HPGD (0.40) FFAR1TRPA1KDM4EPOLBALOX15
SCHEMBL5693140 0.80 HPGD (0.40) FFAR1TRPA1KDM4EPOLBALOX15
SCHEMBL4479423 0.74 MDM2 (0.47) FFAR1MDM2TP53KDM4EPOLB
SCHEMBL4466269 0.74 MDM2 (0.45) FFAR1MDM2TP53KDM4EHPGD
SCHEMBL6094330 0.73 FFAR1 (0.40) FFAR1MDM2TRPA1KDM4EPOLB
SCHEMBL20000835 0.70 ALDH1A1 (0.36) MDM2TP53KDM4EPOLBALOX15
SCHEMBL4476857 0.70 NPC1 (0.40) FFAR1MDM2TP53LMNAALDH1A1

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 FFAR1 2288/4885MDM2 1402/4885TP53 2869/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 FFAR1 2012/4885MDM2 1566/4885TP53 3009/4885

“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.