SCHEMBL2227019

SCHEMBL2227019

COC(=O)CCCNC(=O)c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.65
MEN1 O00255 4/20 0.65
TDP1 Q9NUW8 1/20 0.65
RAB9A P51151 2/20 0.62
EPHX2 P34913 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
THRB P10828 1/20 0.57
GAA P10253 1/20 0.57
TBXAS1 P24557 1/20 0.57
NPC1 O15118 1/20 0.57
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56

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
SCHEMBL15592299 0.88 CYP1A2 (0.66) KMT2AMEN1TDP1RAB9AEPHX2
SCHEMBL14290329 0.87 RAB9A (0.67) KMT2AMEN1TDP1RAB9AEPHX2
SCHEMBL5555262 0.86 GAA (0.74) KMT2AMEN1TDP1RAB9AEPHX2
SCHEMBL9809561 0.85 RAB9A (0.76) KMT2AMEN1TDP1RAB9AEPHX2
SCHEMBL17822214 0.85 EPHX2 (0.75) KMT2AMEN1TDP1RAB9AEPHX2
SCHEMBL678984 0.84 EPHX2 (0.70) KMT2AMEN1TDP1RAB9AEPHX2
SCHEMBL29560373 0.84 EPHX2 (0.70) KMT2AMEN1TDP1RAB9AEPHX2
SCHEMBL9763664 0.84 EPHX2 (0.73) KMT2AMEN1TDP1RAB9AEPHX2
SCHEMBL5483064 0.84 EPHX2 (0.73) KMT2AMEN1TDP1RAB9AEPHX2
SCHEMBL21090097 0.83 RAB9A (0.62) KMT2AMEN1TDP1RAB9AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464053-B2 Compositions for reducing Aβ 42 production and their use in treating alzheimer's disease (AD) KAREUS THERAPEUTICS, SA (CH) 2016-10-11 US disclosed
US-9464053-B2 Compositions for reducing Aβ 42 production and their use in treating alzheimer's disease (AD) KAREUS THERAPEUTICS, SA (CH) 2016-10-11 US disclosed
US-9464053-B2 Compositions for reducing Aβ 42 production and their use in treating alzheimer's disease (AD) KAREUS THERAPEUTICS, SA (CH) 2016-10-11 US disclosed
US-20140364457-A1 COMPOSITIONS FOR REDUCING AB 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) KAREUS THERAPEUTICS, SA (CH) 2014-12-11 US disclosed
US-20140364457-A1 COMPOSITIONS FOR REDUCING AB 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) KAREUS THERAPEUTICS, SA (CH) 2014-12-11 US disclosed
US-20140364457-A1 COMPOSITIONS FOR REDUCING AB 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) KAREUS THERAPEUTICS, SA (CH) 2014-12-11 US disclosed
US-8846721-B2 Compositions for reducing aβ 42 production and their use in treating alzheimer's disease (AD) KAREUS THERAPEUTICS SA (CH) 2014-09-30 US disclosed
US-8846721-B2 Compositions for reducing aβ 42 production and their use in treating alzheimer's disease (AD) KAREUS THERAPEUTICS SA (CH) 2014-09-30 US disclosed
US-8846721-B2 Compositions for reducing aβ 42 production and their use in treating alzheimer's disease (AD) KAREUS THERAPEUTICS SA (CH) 2014-09-30 US disclosed
US-20120322831-A1 COMPOSITIONS FOR REDUCING AB 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) KAREUS THERAPEUTICS SA (CH) 2012-12-20 US disclosed
US-20120322831-A1 COMPOSITIONS FOR REDUCING AB 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) KAREUS THERAPEUTICS SA (CH) 2012-12-20 US disclosed
US-20120322831-A1 COMPOSITIONS FOR REDUCING AB 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) KAREUS THERAPEUTICS SA (CH) 2012-12-20 US disclosed
EP-2528898-A2 NOVEL COMPOSITIONS FOR REDUCING Aß 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) Kareus Therapeutics SA (FR) 2012-12-05 EP disclosed
WO-2011089576-A2 NOVEL COMPOSITIONS FOR REDUCING Aß 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) KAREUS THERAPEUTTICS SA (CH) 2011-07-28 WO disclosed
WO-2011089576-A2 NOVEL COMPOSITIONS FOR REDUCING Aß 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) KAREUS THERAPEUTTICS SA (CH) 2011-07-28 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 (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-20140364457-A1 COMPOSITIONS FOR REDUCING AB 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) PSEN2, APP, PSEN1 KMT2A 3121/4885MEN1 4437/4885TDP1 2683/4885
US-20120322831-A1 COMPOSITIONS FOR REDUCING AB 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) PSEN2, APP, PSEN1 KMT2A 3121/4885MEN1 4437/4885TDP1 2683/4885

“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.