SCHEMBL1973353

SCHEMBL1973353

N=C(NO)c1cccc(Oc2ccc3c(c2)S(O)(O)NCCN3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.35
ADAM17 P78536 3/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
F2 P00734 3/20 0.32
F10 P00742 3/20 0.32
FURIN P09958 1/20 0.32
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
TNKS O95271 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
GRIA2 P42262 1/20 0.31
MMP1 P03956 1/20 0.31
AKR1C3 P42330 1/20 0.30
SMPD1 P17405 1/20 0.30
NPC1 O15118 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
SCHEMBL1972442 0.83 AKR1C3 (0.50) ERCC5FEN1TNKSPARP15PARP14
SCHEMBL1970213 0.81 MMP3 (0.41) HDAC8F2F10NPC1
SCHEMBL756186 0.81 HDAC8 (0.34) HDAC8F2F10FURINERCC5
SCHEMBL1973340 0.80 LMNA (0.36) HDAC8F2F10FURINTNKS
SCHEMBL1973359 0.80 LMNA (0.36) HDAC8F2F10FURINTNKS
SCHEMBL2809177 0.79 GRIA2 (0.47) GRIA2
SCHEMBL1973861 0.78 MAPT (0.44) F2F10NPC1
SCHEMBL1969375 0.77 LMNA (0.38) GRIA2
SCHEMBL1971789 0.76 MEN1 (0.40) ADAM17PARP10GRIA2
SCHEMBL1970202 0.74 ALDH1A1 (0.40) ADAM17PARP10GRIA2NPC1

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 4 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
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 HDAC8 734/4885ADAM17 1866/4885MMP2 4371/4885

“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.