SCHEMBL2776388

SCHEMBL2776388

NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CRHBP P24387 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ TBXA2R P21731 3/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ HCAR3 P49019 1/20 0.45
▸ CYP19A1 P11511 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CA2 P00918 4/20 0.44
▸ CA12 O43570 3/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA5A P35218 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44

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
SCHEMBL2775489 0.89 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNACRHBP
SCHEMBL10882482 0.80 CA2 (0.51) MAPTALDH1A1GAAPOLBCA2
SCHEMBL10957213 0.80 MAPT (0.61) MAPTALDH1A1SMN1; SMN2LMNACRHBP
SCHEMBL30369816 0.79 MAPT (0.60) MAPTALDH1A1SMN1; SMN2LMNACRHBP
SCHEMBL2775314 0.76 PTGES2 (0.41) CA2CA12CA1CA9CA5A
SCHEMBL7711914 0.76 MAPT (0.88) MAPTALDH1A1SMN1; SMN2LMNACRHBP
SCHEMBL2775945 0.76 PTGES2 (0.49) ALDH1A1CA2CA12CA1CA9
SCHEMBL31392988 0.76 MAPT (0.60) MAPTALDH1A1SMN1; SMN2LMNACRHBP
SCHEMBL2775760 0.76 PTGES2 (0.47) ALDH1A1SMN1; SMN2CA2CA12CA1
SCHEMBL2775908 0.76 PTGES2 (0.49) CA2CA12CA1CA9CA14

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 MAPT 3023/4885ALDH1A1 1067/4885SMN1; SMN2 4478/4885

“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.

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