SCHEMBL809447

SCHEMBL809447

CCOC(=O)C=Nc1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
NPC1 O15118 4/20 0.52
GAA P10253 4/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CES2 O00748 1/20 0.45
ACHE P22303 1/20 0.45
CES1 P23141 1/20 0.45
CYP4Z1 Q86W10 2/20 0.44
S100B P04271 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43

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
SCHEMBL1259691 1.00 KMT2A (0.52) KMT2ANPC1GAAMAPTRAB9A
SCHEMBL12528504 1.00 KMT2A (0.52) KMT2ANPC1GAAMAPTRAB9A
SCHEMBL28242676 0.85 CYP4Z1 (0.48) KMT2ANPC1GAAMAPTRAB9A
SCHEMBL13282569 0.83 CA1 (0.54) KMT2ANPC1MAPTRAB9AMEN1
SCHEMBL8809970 0.83 S100B (0.49) NPC1GAAMAPTRAB9ANPSR1
SCHEMBL28518807 0.83 S100B (0.49) KMT2ANPC1GAAMAPTRAB9A
SCHEMBL30170219 0.83 S100B (0.49) NPC1GAAMAPTRAB9ANPSR1
SCHEMBL28243545 0.82 MAPT (0.47) KMT2ANPC1GAAMAPTRAB9A
SCHEMBL28242729 0.82 NPC1 (0.58) KMT2ANPC1GAAMAPTMEN1
SCHEMBL654319 0.82 LMNA (0.50) KMT2ANPC1GAAMAPTRAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4168114-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO Pharma A/S (DK) 2023-04-26 EP disclosed
EP-1948638-B1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORP (US) 2011-08-03 EP disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7879997-B2 Tumor necrosis factor-alpha converting enzyme inhibitors such as (2S,3R)-4-oxo-3-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]azetidine-2-carboxylic acid, useful for the treatment of diseases or conditions mediated by matrix Metalloproteinases and tumor necrosis factor-alpha SCHERING CORPORATION (US) 2011-02-01 US disclosed
EP-1817273-B1 METHOD FOR PREPARING DIASTEREOISOMERS OF 4-HYDROXY ISOLEUCINE CENTRE NAT RECH SCIENT (FR) 2010-01-27 EP disclosed
US-7612239-B2 Method for asymmetric alkynylation of alpha-imino esters THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2009-11-03 US disclosed
EP-1948638-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2008-07-30 EP disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070191332-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007021803-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-02-22 WO disclosed
JP-2000256287-A 1,2-DIAMINODIOL COMPOUND, ITS INTERMEDIATE AND THEIR PRODUCTION SUMITOMO CHEM CO LTD 2000-09-19 JP 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 KMT2A 2300/4885NPC1 902/4885GAA 4167/4885
US-20070191332-A1 Compounds for the treatment of inflammatory disorders TNF, MMP8, MPO KMT2A 3627/4885NPC1 1164/4885GAA 296/4885

“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.