SCHEMBL2964066

SCHEMBL2964066

O=C(O)CN1CCN(c2ccncc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.57
HDAC1 Q13547 5/20 0.52
CYP2D6 P10635 3/20 0.49
CYP2C19 P33261 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2C9 P11712 2/20 0.49
POLB P06746 1/20 0.49
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
LMNA P02545 1/20 0.46
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
LARS1 Q9P2J5 1/20 0.44
S1PR1 P21453 1/20 0.42
DRD3 P35462 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL3582057 0.85 KMT2A (0.61) DRD2HDAC1CYP2D6CYP2C19KMT2A
SCHEMBL13200405 0.79 SCN9A (0.49) DRD2HDAC1LARS1DRD3RAB9A
SCHEMBL2963194 0.79 DRD2 (0.61) DRD2HDAC1KMT2ALARS1DRD3
SCHEMBL2961269 0.77 CYP2D6 (0.40) DRD2CYP2D6CYP2C19KMT2ACYP2C9
SCHEMBL7401407 0.77 ITGB3 (0.50) HDAC1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7404001 0.76 F10 (0.51) HDAC1ITGB3ITGA2B
SCHEMBL7825229 0.75 DRD2 (0.57) DRD2HDAC1KMT2ALARS1DRD3
SCHEMBL2710491 0.75 CYP2D6 (0.52) CYP2D6CYP2C19KMT2ACYP2C9POLB
SCHEMBL20379466 0.75 HDAC1 (0.76) DRD2HDAC1RAB9AALDH1A1
SCHEMBL7284365 0.74 ITGB3 (0.47) HDAC1ITGB3ITGA2B

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 DRD2 3669/4885HDAC1 261/4885CYP2D6 1031/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 DRD2 3669/4885HDAC1 261/4885CYP2D6 1031/4885

“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.