SCHEMBL4028022

SCHEMBL4028022

COC(=O)CC(NC(=O)c1cccnc1)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ECE1 P42892 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
Hydrochloric Acid SCHEMBL6991099 0.90 LMNA (0.47) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL7923262 0.83 TP53 (0.45) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL6048079 0.83 KMT2A (0.47) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL6860711 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL23489730 0.79 ECE1 (0.65) KMT2AMEN1ALDH1A1CYP3A4LMNA
SCHEMBL4678063 0.78 LMNA (0.49) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL15967436 0.78 MEN1 (0.46) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL29809574 0.77 ECE1 (0.56) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL10331461 0.77 ECE1 (0.56) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5700886 0.77 MEN1 (0.48) KMT2AMEN1ALDH1A1CYP1A2CYP3A4

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
EP-1324990-B1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2014-10-29 EP disclosed
US-7560548-B2 Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-07-14 US disclosed
US-20090163495-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2009-06-25 US disclosed
US-7101882-B2 Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2006-09-05 US disclosed
US-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ANCLIFF RACHAEL A 2006-04-13 US disclosed
US-20050222147-A1 Process for the preparation of morpholine derivatives and intermediates therefore GLAXO GROUP LIMITED (GB) 2005-10-06 US disclosed
US-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases SMITHKLINE BEECHAM CORPORATION 2004-03-25 US 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-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases CCR1, MALT1, REL KMT2A 1430/4885MEN1 2256/4885ALDH1A1 3130/4885
US-20050222147-A1 Process for the preparation of morpholine derivatives and intermediates therefore NISCH, MYO3B, CYP11B2 KMT2A 3848/4885MEN1 279/4885ALDH1A1 1003/4885
US-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ARG1, ARG2, NFKBIA KMT2A 2015/4885MEN1 2027/4885ALDH1A1 1688/4885
US-20090163495-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ARG1, ARG2, NFKBIA KMT2A 2015/4885MEN1 2027/4885ALDH1A1 1688/4885

“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.