SCHEMBL2959161

SCHEMBL2959161

CN(CC(=O)O)c1nccc(C#N)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
CTSK P43235 4/20 0.42
ACACB O00763 11/20 0.39
MAOB P27338 2/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL13216855 0.81 ACACB (0.42) HCRTR1HCRTR2CTSKACACBMTNR1A
SCHEMBL17846698 0.78 HCRTR1 (0.62) HCRTR1HCRTR2CTSK
SCHEMBL7495910 0.76 MTNR1A (0.37) ACACBMAOBMTNR1AMTNR1BPDE10A
SCHEMBL19700745 0.73 HCRTR1 (0.47) HCRTR1HCRTR2CTSKACACB
SCHEMBL19689877 0.72 HCRTR1 (0.46) HCRTR1HCRTR2CTSKACACBMTNR1A
SCHEMBL19709224 0.70 CTSL (0.47) HCRTR1HCRTR2CTSKMTNR1AMTNR1B
SCHEMBL3144894 0.70 PIK3CA (0.38)
SCHEMBL569097 0.70 CTSK (0.41) HCRTR1HCRTR2CTSKACACB
SCHEMBL2953355 0.70 CYP11B1 (0.35) HCRTR1HCRTR2MAOBPDE10A
SCHEMBL8516288 0.68 KMO (0.45) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP 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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 HCRTR1 3079/4885HCRTR2 3869/4885CTSK 2868/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 HCRTR1 3079/4885HCRTR2 3869/4885CTSK 2868/4885

“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.