SCHEMBL1978280

SCHEMBL1978280

O=S1(=O)NCCNc2ccc(Oc3ccc(OCc4ccccc4)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.44
MAOB P27338 6/20 0.42
MAOA P21397 5/20 0.42
FFAR1 O14842 5/20 0.41
FFAR4 Q5NUL3 2/20 0.41
GSTP1 P09211 1/20 0.40
MMP9 P14780 1/20 0.40
ADAM17 P78536 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL1967915 0.89 GRIA2 (0.53) GRIA2MAOBMAOAFFAR1FFAR4
SCHEMBL1969371 0.81 GRIA2 (0.39) GRIA2FFAR1FFAR4LMNASMN1; SMN2
SCHEMBL1976637 0.79 GRIA2 (0.61) GRIA2FFAR1RAB9ANPC1TP53
Hydrochloric Acid SCHEMBL2811105 0.79 GRIA2 (0.40) GRIA2MAOAMMP9RAB9ANPC1
SCHEMBL2809179 0.77 GRIA2 (0.57) GRIA2FFAR1FFAR4SLC6A2SLC6A3
SCHEMBL28365503 0.77 GRIA2 (0.54) GRIA2MAOBMAOAFFAR1FFAR4
SCHEMBL1979031 0.77 GRIA2 (0.41) GRIA2FFAR1FFAR4MMP9SLC6A2
SCHEMBL1972444 0.76 AKR1C3 (0.50) GRIA2RAB9ANPC1NR4A2
SCHEMBL1980510 0.76 VEGFA (0.45) GRIA2FFAR1FFAR4
SCHEMBL1980615 0.75 CNR2 (0.38) GRIA2SLC6A2SLC6A3RAB9ANPC1

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-8236790-B2 Benzothiadiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2012-08-07 US disclosed
EP-2246339-B1 Derivatives of benzothiazepine and their use as modulators of AMPA and NMDA receptors SERVIER LAB (FR) 2011-06-22 EP disclosed
EP-2246339-A1 Derivatives of benzothiazepine and their use as modulators of AMPA and NMDA receptors Les Laboratoires Servier (FR) 2010-11-03 EP disclosed
WO-2010106249-A1 BENZOTHIADIAZEPINE DERIVATIVES USED AS AMPA AND NMDA RECEPTOR MODULATORS LES LABORATOIRES SERVIER (FR) 2010-09-23 WO disclosed
US-20100240635-A1 Benzothiadiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-09-23 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-20100240635-A1 Benzothiadiazepine compounds, a process for their preparation and pharmaceutical compositions containing them GRIN1, GRIN2B, GRIN3A GRIA2 45/4885MAOB 1293/4885MAOA 1802/4885

“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.