SCHEMBL13200430

SCHEMBL13200430

CCN1CCN(c2cc[n+]([O-])cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
DRD2 P14416 7/20 0.42
DRD3 P35462 6/20 0.42
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.40
S1PR1 P21453 1/20 0.39
CYP1A1 P04798 3/20 0.38
KCNH2 Q12809 2/20 0.38

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
SCHEMBL13179111 0.81 RAB9A (0.55) RAB9ADRD2DRD3MEN1NPC1
SCHEMBL8393737 0.81 RAB9A (0.64) RAB9ADRD2DRD3MEN1NPC1
SCHEMBL14734297 0.79 DRD2 (0.63) RAB9ADRD2DRD3MEN1NPC1
SCHEMBL10498437 0.79 RAB9A (0.49) RAB9ADRD2DRD3MEN1NPC1
SCHEMBL31662444 0.78 RAB9A (0.47) RAB9ADRD2DRD3MEN1NPC1
SCHEMBL14734298 0.78 DRD2 (0.61) RAB9ADRD2DRD3HDAC1CYP1A1
SCHEMBL18937416 0.78 RAB9A (0.69) RAB9ADRD2DRD3MEN1NPC1
SCHEMBL2963194 0.78 DRD2 (0.61) RAB9ADRD2DRD3MEN1NPC1
SCHEMBL10498805 0.76 SIRT6 (0.46) RAB9ADRD2DRD3MEN1KMT2A
SCHEMBL14708663 0.76 CYP1A1 (0.47) RAB9ADRD2DRD3HDAC1CYP1A1

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 RAB9A 4678/4885DRD2 3669/4885DRD3 2661/4885

“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.