SCHEMBL2953249

SCHEMBL2953249

Cc1ccc(Sc2ncccc2-c2nc(=O)c3ccccc3s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.50
GABRA1 P14867 1/20 0.50
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
GAA P10253 3/20 0.43
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
LMNA P02545 4/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 5/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.38
HKDC1 Q2TB90 1/20 0.38
HTT P42858 2/20 0.37

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
SCHEMBL2953251 0.84 MIF (0.50) MIFGABRA1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL13199735 0.76 MIF (0.45) MIFGABRA1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2958616 0.74 MIF (0.52) MIFGABRA1ALDH1A1SMN1; SMN2GAA
SCHEMBL2959712 0.73 MIF (0.47) MIFGABRA1
SCHEMBL17059030 0.71 MIF (0.50) MIFGABRA1ALDH1A1SMN1; SMN2GAA
SCHEMBL2949439 0.71 MIF (0.61) MIFGABRA1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2962773 0.70 MIF (0.68) MIFGABRA1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2959713 0.69 MIF (0.48) MIFGABRA1ALDH1A1POLBKDM4E
Btzo-1 SCHEMBL29394317 0.68 MIF (1.00) MIFGABRA1ALDH1A1SMN1; SMN2GAA
Btzo-1 SCHEMBL1002680 0.68 MIF (1.00) MIFGABRA1ALDH1A1SMN1; SMN2GAA

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 4 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

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 3323/4885ALDH1A1 273/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 MIF 1/4885GABRA1 3323/4885ALDH1A1 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.