SCHEMBL2945883

SCHEMBL2945883

N#Cc1ccc(NC(=O)COCCCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.53
PAX8 Q06710 1/20 0.53
RORC P51449 1/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 5/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NLRP3 Q96P20 1/20 0.49
POLB P06746 4/20 0.48
MEN1 O00255 2/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
IL18 Q14116 1/20 0.48
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL13401640 0.82 KMT2A (0.56) KMT2AGAAPAX8RORCATM
SCHEMBL28029676 0.80 MEN1 (0.48) KMT2AGAAMAPTLMNATSHR
SCHEMBL27967069 0.80 ALDH1A1 (0.55) MAPTLMNAHTTKDM4EMAPK1
SCHEMBL6621438 0.80 POLB (0.56) KMT2AGAAPAX8RORCMAPT
SCHEMBL1720835 0.79 MAPT (0.59) KMT2AGAAPAX8MAPTLMNA
SCHEMBL20941638 0.77 SAE1 (0.62) KMT2AGAAPAX8MAPTLMNA
SCHEMBL2946374 0.77 MEN1 (0.64) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL3096926 0.77 NR1H4 (0.48) KMT2AGAALMNAPOLBMEN1
SCHEMBL8886185 0.76 RORC (0.53) KMT2AGAAPAX8RORCATM
SCHEMBL324309 0.76 ALDH1A1 (0.65) KMT2AGAAPAX8RORCATM

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-20100210864-A1 PROCESS FOR THE PREPARATION OF N-ARYLMORPHOLINONES DORSCH DIETER 2010-08-19 US disclosed
US-7687624-B2 Process for the production of N-arylmorpholinones MERCK PATENT GMBH (DE) 2010-03-30 US disclosed
CN-100537549-C Process for preparing N-aryl morpholinones MERCK PATENT GMBH (DE) 2009-09-09 CN disclosed
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 US disclosed
EP-1654240-B1 METHOD FOR PRODUCTION OF N-ARYL MORPHOLINONES MERCK PATENT GMBH (DE) 2006-11-02 EP disclosed
US-20060217550-A1 One pot process; cyclization; 4-(4-nitrophenyl)-3-oxomorpholine; Factor Xa inhibitors; , myocardial infarction, arteriosclerosis, inflammation, apoplexy, angina pectoris, restenosis after angioplasty and claudicatio intermittens MERCK PATENT GMBH (DE) 2006-09-28 US disclosed
CN-1832933-A Method for production of n-aryl morpholinones MERCK PATENT GMBH (DE) 2006-09-13 CN 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 (3 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-20100210864-A1 PROCESS FOR THE PREPARATION OF N-ARYLMORPHOLINONES CYP1A1, CYP1B1, OPRM1 KMT2A 3641/4885GAA 1685/4885PAX8 4663/4885
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 KMT2A 2377/4885GAA 672/4885PAX8 3976/4885
US-20060217550-A1 One pot process; cyclization; 4-(4-nitrophenyl)-3-oxomorpholine; Factor Xa inhibitors; , myocardial infarction, arteriosclerosis, inflammation, apoplexy, angina pectoris, restenosis after angioplasty and claudicatio intermittens PLAT, PCSK9, SERPINE1 KMT2A 3928/4885GAA 2907/4885PAX8 1237/4885

“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.