SCHEMBL2953328

SCHEMBL2953328

N#Cc1cccc(SCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PPARG P37231 3/20 0.43
NCOA2 Q15596 3/20 0.43
NCOA1 Q15788 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 3/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL2960610 0.85 MAOA (0.49) MAOAMAOBALDH1A1CYP1A2CYP2C9
SCHEMBL2961948 0.81 CES1 (0.43) MAOAMAOBALDH1A1
SCHEMBL8485541 0.81 MAOA (0.45) MAOAMAOBALDH1A1L3MBTL1TDP1
SCHEMBL2953350 0.77 SQOR (0.41) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL13217258 0.75 KDM4E (0.50) ALDH1A1TDP1KMT2AMEN1HPGD
SCHEMBL14152637 0.75 CNR2 (0.40) MAOAMAOBALDH1A1CYP1A2CYP2C9
SCHEMBL2955678 0.75 KDM4E (0.39) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL2239049 0.74 HSD17B10 (0.44) KMT2AMEN1MAPTHTTTP53
SCHEMBL2408695 0.74 LMNA (0.50) ALDH1A1L3MBTL1TDP1MAPK1KMT2A
SCHEMBL2953050 0.74 MAOA (0.46) MAOAMAOBALDH1A1L3MBTL1TDP1

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 8 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-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-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-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 MAOA 4539/4885MAOB 4163/4885ALDH1A1 273/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 MAOA 4539/4885MAOB 4163/4885ALDH1A1 273/4885

“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.