SCHEMBL13200049

SCHEMBL13200049

[C-]#[N+]c1cccc(Sc2ccncc2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.43
NOS1 P29475 1/20 0.43
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TYMS P04818 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL13200033 0.77 SMN1; SMN2 (0.34) MEN1KMT2AALDH1A1
SCHEMBL13199666 0.72 IDO1 (0.30)
SCHEMBL9663787 0.70 HRH3 (0.30)
SCHEMBL13200038 0.69 GCK (0.38) MEN1KMT2AALDH1A1
SCHEMBL2960215 0.69 DDAH1 (0.43) DDAH1NOS1MEN1KMT2AALDH1A1
SCHEMBL13199776 0.68 FFAR4 (0.34) L3MBTL1
SCHEMBL13199774 0.68 HTR7 (0.33) MEN1KMT2AALDH1A1
SCHEMBL144087 0.65 DDAH1 (1.00) DDAH1NOS1MEN1KMT2AALDH1A1
SCHEMBL8429277 0.64 HPGD (0.52) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL13200054 0.63 KDM4E (0.50) MEN1KMT2AALDH1A1

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 DDAH1 1027/4885NOS1 533/4885MEN1 203/4885

“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.