SCHEMBL13199883

SCHEMBL13199883

[C-]#[N+]c1cccc(CCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.47
BCHE P06276 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NAMPT P43490 1/20 0.39
GFER P55789 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
IDO1 P14902 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL10315038 0.87 KDM4A (0.44) NQO2BCHEGAAMALT1POLB
SCHEMBL31505328 0.82 NQO2 (0.54) NQO2BCHELMNAGAAHPGD
SCHEMBL13199720 0.81 NPSR1 (0.36) NQO2GAANPSR1KDM4EALDH1A1
SCHEMBL16765682 0.81 NQO2 (0.50) NQO2BCHELMNAGAAHPGD
SCHEMBL28580348 0.80 NQO2 (0.49) NQO2BCHELMNAGAAHPGD
SCHEMBL18765320 0.80 NQO2 (0.49) NQO2BCHELMNAGAAHPGD
SCHEMBL15436107 0.79 NQO2 (0.48) NQO2BCHELMNAGAAHPGD
SCHEMBL13217212 0.78 NQO2 (0.47) NQO2BCHELMNAGAAHPGD
SCHEMBL17274050 0.78 SUCNR1 (0.48) NQO2BCHENAMPTCKS1BSKP1
SCHEMBL31505320 0.78 NQO2 (0.47) NQO2BCHELMNAGAAHPGD

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 NQO2 1717/4885BCHE 4798/4885LMNA 1854/4885

“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.