SCHEMBL2962829

SCHEMBL2962829

CCOCCOc1ccc(C#N)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
GABRA5 P31644 2/20 0.42
HSD11B1 P28845 4/20 0.39
HSD11B2 P80365 1/20 0.39
NPY5R Q15761 1/20 0.37
ACACB O00763 6/20 0.37
OPRM1 P35372 1/20 0.37
IDH1 O75874 1/20 0.36
MAPT P10636 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL7433167 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDL3MBTL1HTT
SCHEMBL507573 0.84 MAPT (0.47) ALDH1A1KDM4EHPGDL3MBTL1HTT
SCHEMBL27291360 0.83 KDM4E (0.58) ALDH1A1KDM4EHPGDL3MBTL1HTT
SCHEMBL13347699 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDL3MBTL1HTT
SCHEMBL6946618 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDL3MBTL1HTT
SCHEMBL30325008 0.79 GABRA5 (0.39) ALDH1A1KDM4EHPGDL3MBTL1HTT
SCHEMBL12217659 0.79 GABRA5 (0.46) ALDH1A1KDM4EHPGDL3MBTL1HTT
SCHEMBL21770763 0.78 ALK (0.45) ALDH1A1KDM4EHPGDL3MBTL1HTT
SCHEMBL25345889 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDL3MBTL1HTT
SCHEMBL507444 0.77 GABRA5 (0.42) ALDH1A1KDM4EHPGDL3MBTL1HTT

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 ALDH1A1 273/4885KDM4E 3627/4885HPGD 1550/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 ALDH1A1 273/4885KDM4E 3627/4885HPGD 1550/4885

“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.