SCHEMBL2479933

SCHEMBL2479933

O=C(/C=N/O)Nc1cccc2c1CCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SIGMAR1 Q99720 2/20 0.51
LMNA P02545 1/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 2/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.45

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
SCHEMBL31417705 1.00 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASIGMAR1LMNA
SCHEMBL11888126 1.00 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASIGMAR1LMNA
SCHEMBL2251499 1.00 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASIGMAR1LMNA
SCHEMBL4829038 0.97 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ASIGMAR1LMNA
SCHEMBL12359714 0.97 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ASIGMAR1LMNA
SCHEMBL31565000 0.82 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASIGMAR1LMNA
SCHEMBL20456548 0.82 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASIGMAR1LMNA
SCHEMBL4395712 0.81 PNMT (0.43) ALDH1A1MEN1KMT2ALMNATHRA
SCHEMBL4395713 0.81 PNMT (0.43) ALDH1A1MEN1KMT2ALMNATHRA
SCHEMBL20456551 0.79 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASIGMAR1LMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479175-A1 Compounds and methods for treating dyslipidemia Eli Lilly and Company (US) 2012-07-25 EP disclosed
EP-1761522-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2011-10-12 EP disclosed
US-7994333-B2 Methods and compositions for selectin inhibition WYETH LLC (US) 2011-08-09 US disclosed
US-7994333-B2 Methods and compositions for selectin inhibition WYETH LLC (US) 2011-08-09 US disclosed
US-7786108-B2 Compounds and method for treating dyslipidemia ELI LILLY AND COMPANY (US) 2010-08-31 US disclosed
US-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2009-09-09 EP disclosed
EP-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP disclosed
US-20090069564-A1 Methods and Compositions for Selectin Inhibition WYETH (US) 2009-03-12 US disclosed
US-20090069564-A1 Methods and Compositions for Selectin Inhibition WYETH (US) 2009-03-12 US disclosed
US-7465798-B2 Methods and compositions for selectin inhibition WYETH (US) 2008-12-16 US disclosed
US-20080125454-A1 preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale WYETH (US) 2008-05-29 US disclosed
US-20080125454-A1 preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale WYETH (US) 2008-05-29 US disclosed
WO-2008043075-A2 COMPOSITIONS FOR THE TREATMENT OF SCLERITIS WYETH (US) 2008-04-10 WO disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
US-20070244095-A1 S)-(3,5-Bistrifluoromethylbenzyl)-(1-cyclopentylmethyl-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-(2-methyl-2H-tetrazol-5-yl)amine, for treating and/or preventing diseases related to abnormal cholesterol ester transfer protein activity such as atherosclerosis ELI LILLY AND COMPANY 2007-10-18 US disclosed
EP-1761522-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2007-03-14 EP disclosed
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2006002342-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-01-05 WO disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 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 (4 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-20080125454-A1 preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale SELL, VCAM1, SELE ALDH1A1 246/4885MEN1 4505/4885KMT2A 2985/4885
US-20090069564-A1 Methods and Compositions for Selectin Inhibition SELP, SELE, SELL ALDH1A1 285/4885MEN1 4598/4885KMT2A 4568/4885
US-20070244095-A1 S)-(3,5-Bistrifluoromethylbenzyl)-(1-cyclopentylmethyl-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-(2-methyl-2H-tetrazol-5-yl)amine, for treating and/or preventing diseases related to abnormal cholesterol ester transfer protein activity such as atherosclerosis CETP, APOB, MTTP ALDH1A1 4410/4885MEN1 3703/4885KMT2A 1760/4885
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia APOB, CETP, PCSK9 ALDH1A1 2112/4885MEN1 1183/4885KMT2A 3153/4885

“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.