SCHEMBL2952355

SCHEMBL2952355

O=C(O)N(O)CCc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.48
PTPRA P18433 1/20 0.47
HRH1 P35367 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD11B1 P28845 1/20 0.47
MAPT P10636 1/20 0.46
LIN28A Q9H9Z2 1/20 0.46

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
SCHEMBL2961946 0.82 CYP1A2 (0.54) CYP1A2CYP3A4SMN1; SMN2CYP2C19KDM4E
SCHEMBL2755865 0.81 KDM4E (0.62) CYP1A2CYP3A4KDM4EALDH1A1TDP1
SCHEMBL11586559 0.80 CYP1A2 (0.74) CYP1A2CYP3A4SMN1; SMN2CYP2C19KDM4E
SCHEMBL6856040 0.78 CYP1A2 (0.54) CYP1A2CYP3A4SMN1; SMN2CYP2C19KDM4E
SCHEMBL10694575 0.76 ALOX5 (0.56) CYP1A2CYP3A4TDP1POLB
SCHEMBL6678976 0.75 CYP1A2 (0.55) CYP1A2CYP3A4SMN1; SMN2CYP2C19KDM4E
SCHEMBL4961822 0.75 TDP1 (0.63) CYP1A2CYP3A4SMN1; SMN2CYP2C19KDM4E
SCHEMBL424285 0.75 HIF1A (0.59) CYP1A2CYP3A4SMN1; SMN2KDM4EALDH1A1
SCHEMBL31298063 0.74 MEN1 (0.67) CYP1A2CYP3A4SMN1; SMN2CYP2C19KDM4E
SCHEMBL29499090 0.74 SMN1; SMN2 (0.62) CYP1A2CYP3A4SMN1; SMN2CYP2C19ALDH1A1

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 CYP1A2 2284/4885CYP3A4 1744/4885SMN1; SMN2 388/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 CYP1A2 2284/4885CYP3A4 1744/4885SMN1; SMN2 388/4885

“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.