SCHEMBL2942955

SCHEMBL2942955

Cc1cc([N+](=O)[O-])ccc1NC(=O)COCCCl

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
MAPT P10636 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 4/20 0.56
HTT P42858 2/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 1/20 0.52
CCR6 P51684 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL30168150 0.83 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1KMT2AHTT
SCHEMBL10674588 0.83 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1KMT2AHTT
SCHEMBL13216550 0.83 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL13216555 0.82 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL29106604 0.81 MAPT (0.66) ALDH1A1MAPTL3MBTL1KMT2AHTT
SCHEMBL16730282 0.80 MAPT (0.65) ALDH1A1MAPTL3MBTL1KMT2AHTT
SCHEMBL2941803 0.79 MAPT (0.56) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL14192526 0.79 ALDH1A1 (0.73) ALDH1A1MAPTL3MBTL1KMT2AHTT
SCHEMBL3271853 0.78 ALDH1A1 (0.68) ALDH1A1MAPTL3MBTL1KMT2AHTT
SCHEMBL4490833 0.78 ALDH1A1 (0.68) ALDH1A1MAPTL3MBTL1KMT2AHTT

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 6 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
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
EP-1654240-A1 METHOD FOR PRODUCTION OF N-ARYL MORPHOLINONES MERCK PATENT GmbH (DE) 2006-05-10 EP disclosed
WO-2005016899-A1 METHOD FOR PRODUCTION OF N-ARYL MORPHOLINONES MERCK PATENT GMBH (DE) 2005-02-24 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-20100210864-A1 PROCESS FOR THE PREPARATION OF N-ARYLMORPHOLINONES CYP1A1, CYP1B1, OPRM1 ALDH1A1 264/4885MAPT 1388/4885L3MBTL1 4855/4885
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 ALDH1A1 2931/4885MAPT 4446/4885L3MBTL1 3773/4885

“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.