SCHEMBL2958490

SCHEMBL2958490

O=C(O)/C=C/c1cccc[n+]1[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.48
HDAC3 O15379 1/20 0.48
TNKS O95271 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43

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
SCHEMBL5918212 0.75 MAPT (0.57) RAB9AMEN1NPC1KMT2AMAPT
SCHEMBL5918213 0.75 MAPT (0.57) RAB9AMEN1NPC1KMT2AMAPT
SCHEMBL4712807 0.75 RAB9A (0.67) RAB9AMEN1NPC1KMT2AMAPT
SCHEMBL4712805 0.75 RAB9A (0.67) RAB9AMEN1NPC1KMT2AMAPT
SCHEMBL5106488 0.73 LMNA (0.42) HDAC8RAB9AMEN1NPC1KMT2A
SCHEMBL3279254 0.71
SCHEMBL4333144 0.71
Cinnamic Acid SCHEMBL1721342 0.69 HCAR2 (0.95) HCAR2HDAC3TNKSHDAC4HDAC1
Cinnamic Acid SCHEMBL1721341 0.69 HCAR2 (0.95) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL5694528 0.67

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 HCAR2 4020/4885HDAC3 1248/4885TNKS 2735/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 HCAR2 4020/4885HDAC3 1248/4885TNKS 2735/4885

“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.