SCHEMBL13200038

SCHEMBL13200038

[C-]#[N+]c1cccc(Sc2nccn2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.38
ALDH1A1 P00352 6/20 0.38
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
GLA P06280 1/20 0.33
ALOX15 P16050 1/20 0.33
TP53 P04637 2/20 0.32
USP2 O75604 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
SCHEMBL8724916 0.85 GCK (0.45) GCKALDH1A1NPSR1KMT2AHPGD
Hydrochloric Acid SCHEMBL8723459 0.83 GCK (0.44) GCKALDH1A1NPSR1KMT2AHPGD
SCHEMBL2956715 0.74 L3MBTL1 (0.40) GCKALDH1A1NPSR1KMT2AHPGD
SCHEMBL13200033 0.73 SMN1; SMN2 (0.34) ALDH1A1NPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL15381506 0.73 EHMT2 (0.45) GCKALDH1A1NPSR1KMT2AHPGD
SCHEMBL13199666 0.69 IDO1 (0.30)
SCHEMBL3531433 0.66 GCK (0.52) GCKALDH1A1NPSR1KMT2AHPGD
SCHEMBL10395383 0.66 POLB (0.46) GCKALDH1A1NPSR1KMT2AHPGD
SCHEMBL13199776 0.65 FFAR4 (0.34) POLBLMNA
SCHEMBL13199774 0.65 HTR7 (0.33) ALDH1A1KMT2AKDM4EMEN1TDP1

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 GCK 3850/4885ALDH1A1 273/4885NPSR1 1631/4885

“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.