SCHEMBL13199720

SCHEMBL13199720

[C-]#[N+]c1cccc(CCC(=O)OC(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.33
STING1 Q86WV6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
VSIR Q9H7M9 1/20 0.31
GSTO1 P78417 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
P2RY12 Q9H244 1/20 0.30
NQO2 P16083 1/20 0.30

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
SCHEMBL946003 0.83 NPSR1 (0.42) NPSR1KMT2ASTING1KDM4EALDH1A1
SCHEMBL13199883 0.81 NQO2 (0.47) NPSR1KMT2AKDM4EALDH1A1MEN1
SCHEMBL6775183 0.80 KMT2A (0.44) NPSR1KMT2AKDM4EALDH1A1MEN1
SCHEMBL13199837 0.80 HDAC8 (0.34) STING1ALDH1A1
SCHEMBL10315038 0.80 KDM4A (0.44) NPSR1KMT2AMEN1NPC1GAA
SCHEMBL24621514 0.79 NPSR1 (0.41) NPSR1KMT2ASTING1KDM4EALDH1A1
SCHEMBL946119 0.79 NPSR1 (0.41) NPSR1KMT2ASTING1KDM4EALDH1A1
SCHEMBL2962806 0.76 ALDH1A1 (0.38) NPSR1KMT2AALDH1A1
SCHEMBL13200058 0.75 KMT2A (0.38) KMT2AKDM4EALDH1A1MEN1RAB9A
SCHEMBL948367 0.74 KCNH2 (0.41) NPSR1KMT2ASTING1KDM4EALDH1A1

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 NPSR1 1631/4885KMT2A 3139/4885STING1 726/4885

“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.