SCHEMBL4468989

SCHEMBL4468989

CC(C)CN1C(=O)c2ccccc2C1O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 3/20 0.54
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
RAB9A P51151 5/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
STAT3 P40763 1/20 0.46
STAT1 P42224 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
FFAR1 O14842 1/20 0.41

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
SCHEMBL6234847 1.00 HPGD (0.55) HPGDLMNAPKMALDH1A1L3MBTL1
SCHEMBL24370219 0.82 TDP1 (0.45) HPGDLMNAALDH1A1L3MBTL1MEN1
SCHEMBL4465439 0.81 HPGD (0.59) HPGDLMNAPKMALDH1A1L3MBTL1
SCHEMBL6233047 0.81 HPGD (0.59) HPGDLMNAPKMALDH1A1L3MBTL1
SCHEMBL4459450 0.80 KDM4E (0.46) HPGDLMNAPKMALDH1A1L3MBTL1
SCHEMBL4459334 0.80 NPC1 (0.39) HPGDLMNAPKMALDH1A1L3MBTL1
SCHEMBL4466267 0.79 LMNA (0.41) HPGDLMNAALDH1A1RAB9ATP53
SCHEMBL4473294 0.79 CACNA1B (0.37) HPGDLMNAPKMALDH1A1MEN1
SCHEMBL4477266 0.79 KDM4E (0.45) HPGDLMNAALDH1A1KMT2ARAB9A
SCHEMBL4481397 0.79 KDM4E (0.45) HPGDLMNAALDH1A1KMT2ARAB9A

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 HPGD 101/4885LMNA 833/4885PKM 1955/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 HPGD 101/4885LMNA 894/4885PKM 2276/4885

“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.