SCHEMBL2777136

SCHEMBL2777136

O=S1(=O)N=CN(C2CCCCC2)c2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.36
GRIA2 P42262 4/20 0.36
GRIA3 P42263 4/20 0.36
GRIA4 P48058 4/20 0.36
IDO1 P14902 1/20 0.34
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
MAPK1 P28482 1/20 0.32
AGTR1 P30556 1/20 0.32
CNR1 P21554 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2779292 1.00 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4IDO1
SCHEMBL2777275 1.00 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4IDO1
SCHEMBL2777423 0.99 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4IDO1
SCHEMBL2777124 0.96 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL2774471 0.93 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL2777759 0.89 GRIA2 (0.42) GRIA1GRIA2GRIA3GRIA4IDO1
SCHEMBL2776248 0.89 GRIA2 (0.42) GRIA1GRIA2GRIA3GRIA4IDO1
SCHEMBL2775329 0.89 GRIA2 (0.42) GRIA1GRIA2GRIA3GRIA4IDO1
SCHEMBL2776716 0.88 GRIA2 (0.43) GRIA1GRIA2GRIA3GRIA4IDO1
SCHEMBL2777425 0.85 GRIA2 (0.43) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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
EP-2147915-B1 New cycloalkylated benzothiadiazine derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-09-15 EP disclosed
US-7741320-B2 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-06-22 US disclosed
EP-2147915-A1 New cycloalkylated benzothiadiazine derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2010-01-27 EP disclosed
US-20100009974-A1 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compostions containing them LES LABORATOIRES SERVIER (FR) 2010-01-14 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-20100009974-A1 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compostions containing them ACLY, HCAR1, GABRG1 GRIA1 68/4885GRIA2 116/4885GRIA3 126/4885

“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.