SCHEMBL2777145

SCHEMBL2777145

O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=CN2C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
GAA P10253 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
STAT3 P40763 1/20 0.36
MTOR P42345 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL2777823 0.95 KDM4E (0.43) KDM4EMEN1KMT2AABCC8KCNJ11
SCHEMBL2774827 0.85 MEN1 (0.47) KDM4EMEN1KMT2AABCC8KCNJ11
SCHEMBL2776740 0.79 ABCC8 (0.34) KDM4EMEN1KMT2AABCC8KCNJ11
SCHEMBL2776716 0.76 GRIA2 (0.43) ABCC8KCNJ11GAAALDH1A1LMNA
SCHEMBL2776248 0.75 GRIA2 (0.42) MEN1KMT2AGAAALDH1A1CA12
SCHEMBL2777706 0.73 GRIA1 (0.31)
SCHEMBL2774129 0.73 CCNT1 (0.30)
SCHEMBL27495631 0.72 HSP90AA1 (0.41) KDM4EABCC8KCNJ11GAAHSP90AA1
SCHEMBL2777124 0.71 GRIA1 (0.37) MEN1KMT2AABCC8KCNJ11GAA
SCHEMBL5355046 0.71 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1NPC1

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
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
WO-2010004139-A1 NEW CYCLOALKYLATED BENZOTHIADIAZINE DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2010-01-14 WO 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 KDM4E 1941/4885MEN1 4594/4885KMT2A 1847/4885

“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.