SCHEMBL2963140

SCHEMBL2963140

Cc1cccc2c(=O)nc(-c3cccc(C(=O)NCCCCCCNC(=O)O)n3)sc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
APEX1 P27695 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSA P10619 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
STAT3 P40763 1/20 0.35
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4303935 0.92 HPGD (0.51) HPGDMAPK1NPSR1LMNAKDM4E
Hydrochloric Acid SCHEMBL2959574 0.91 HPGD (0.50) HPGDMAPK1NPSR1LMNAKDM4E
SCHEMBL13199916 0.88 HPGD (0.49) HPGDMAPK1NPSR1LMNAKDM4E
SCHEMBL2962166 0.85 NPSR1 (0.52) HPGDMAPK1NPSR1LMNAKDM4E
SCHEMBL2963131 0.81 ECE1 (0.47) HPGDLMNAKDM4EHTTKMT2A
SCHEMBL13217267 0.76 NPSR1 (0.48) HPGDMAPK1NPSR1LMNAKDM4E
SCHEMBL4067890 0.76 NPSR1 (0.48) HPGDMAPK1NPSR1LMNAKDM4E
Hydrochloric Acid SCHEMBL2956299 0.76 NPSR1 (0.48) HPGDMAPK1NPSR1LMNAKDM4E
SCHEMBL13199761 0.74 HPGD (0.48) HPGDMAPK1NPSR1LMNAKDM4E
SCHEMBL2949286 0.73 RAB9A (0.50) HPGDMAPK1NPSR1LMNAKDM4E

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

“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.