SCHEMBL2962166

SCHEMBL2962166

O=C(O)NCCCCCCNC(=O)c1cccc(-c2nc(=O)c3ccccc3s2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.52
HPGD P15428 5/20 0.52
MAPK1 P28482 1/20 0.52
MIF P14174 1/20 0.47
GABRA1 P14867 1/20 0.47
KDM4E B2RXH2 5/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 8/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MEN1 O00255 2/20 0.40
NFKB1 P19838 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL4067890 0.91 NPSR1 (0.48) NPSR1HPGDMAPK1MIFGABRA1
SCHEMBL13217267 0.91 NPSR1 (0.48) NPSR1HPGDMAPK1MIFGABRA1
Hydrochloric Acid SCHEMBL2956299 0.90 NPSR1 (0.48) NPSR1HPGDMAPK1MIFGABRA1
SCHEMBL2964085 0.88 MIF (0.52) NPSR1HPGDMAPK1MIFGABRA1
SCHEMBL2949286 0.86 RAB9A (0.50) NPSR1HPGDMAPK1MIFGABRA1
SCHEMBL2963140 0.85 HPGD (0.53) NPSR1HPGDMAPK1KDM4ELMNA
SCHEMBL13199761 0.85 HPGD (0.48) NPSR1HPGDMAPK1MIFGABRA1
SCHEMBL2949803 0.84 HPGD (0.57) NPSR1HPGDMIFGABRA1KDM4E
SCHEMBL2960071 0.84 HPGD (0.49) NPSR1HPGDMAPK1MIFGABRA1
SCHEMBL2956415 0.81 MIF (0.50) NPSR1MIFGABRA1KDM4ELMNA

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 NPSR1 1631/4885HPGD 1550/4885MAPK1 507/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 NPSR1 1631/4885HPGD 1550/4885MAPK1 507/4885

“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.