SCHEMBL2961691

SCHEMBL2961691

COCOCc1cccnc1-c1nc(=O)c2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.49
GABRA1 P14867 1/20 0.49
HCAR2 Q8TDS4 4/20 0.35
ACHE P22303 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
NPSR1 Q6W5P4 5/20 0.34
KDM4E B2RXH2 5/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NFKB1 P19838 1/20 0.34
RECQL P46063 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ALDH1A1 P00352 8/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 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
SCHEMBL2949439 0.76 MIF (0.61) MIFGABRA1ACHESMN1; SMN2NPC1
SCHEMBL2961688 0.75 MIF (0.51) MIFGABRA1SMN1; SMN2NPC1RAB9A
SCHEMBL2952866 0.68 MIF (0.48) MIFGABRA1RECQLALDH1A1KCNH2
Btzo-1 SCHEMBL1002680 0.67 MIF (1.00) MIFGABRA1ACHESMN1; SMN2NPC1
Btzo-1 SCHEMBL29394317 0.67 MIF (1.00) MIFGABRA1ACHESMN1; SMN2NPC1
SCHEMBL7021647 0.67 KDM4E (0.54) SMN1; SMN2NPC1RAB9ANPSR1KDM4E
SCHEMBL27752600 0.65 FFAR1 (0.39) NPC1RAB9ANPSR1KDM4EMAPT
SCHEMBL2964289 0.65 MIF (0.52) MIFGABRA1SMN1; SMN2NPC1RAB9A
SCHEMBL2958373 0.65 MIF (0.63) MIFGABRA1SMN1; SMN2NPC1RAB9A
SCHEMBL3193492 0.64 MIF (0.51) MIFGABRA1SMN1; SMN2NPC1RAB9A

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 MIF 1/4885GABRA1 3323/4885HCAR2 4020/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 MIF 1/4885GABRA1 3323/4885HCAR2 4020/4885

“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.