SCHEMBL2949487

SCHEMBL2949487

CC(C)CSc1ccc(C#N)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 6/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
HTT P42858 1/20 0.35
CYP19A1 P11511 1/20 0.34
PANK3 Q9H999 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2A6 P11509 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL10297728 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1HPGDHTT
SCHEMBL13570507 0.75 HRH4 (0.35) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL24307526 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1HPGDMEN1
SCHEMBL10270153 0.75 KIF11 (0.40) ALDH1A1KDM4EL3MBTL1HPGDMEN1
SCHEMBL1145180 0.74 KDM4E (0.46) ALDH1A1KDM4EL3MBTL1HPGDMEN1
SCHEMBL8622591 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1HPGDMEN1
SCHEMBL1268799 0.74 ESR1 (0.41) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL31038332 0.72 MAOB (0.58) ALDH1A1KDM4EL3MBTL1HPGDMEN1
SCHEMBL19859048 0.72 MAOB (0.58) ALDH1A1KDM4EL3MBTL1HPGDMEN1
SCHEMBL1145179 0.71 KDM4E (0.42) ALDH1A1KDM4EL3MBTL1HPGDMEN1

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 3627/4885L3MBTL1 11/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 ALDH1A1 273/4885KDM4E 3627/4885L3MBTL1 11/4885

“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.