SCHEMBL2775489

SCHEMBL2775489

NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ CA2 P00918 6/20 0.44
▸ CA12 O43570 5/20 0.44
▸ CA1 P00915 5/20 0.44
▸ CA9 Q16790 5/20 0.44
▸ CA5A P35218 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA7 P43166 1/20 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
SCHEMBL2776388 0.89 MAPT (0.55) MAPTALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL2775821 0.76 PTGES2 (0.45) CA2CA1CA3CA6CA7
SCHEMBL2781077 0.76 CA1 (0.40) CA2CA12CA1CA9CA5A
SCHEMBL2775978 0.76 CA2 (0.40) CA2CA12CA1CA9CA5A
SCHEMBL2776613 0.76 PTGES2 (0.43) MAPTALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL2774091 0.76 CA1 (0.46) CA2CA12CA1CA9CA5A
SCHEMBL30369816 0.76 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL30778538 0.74 MAPT (0.65) MAPTALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL31392988 0.73 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL7711914 0.73 MAPT (0.88) MAPTALDH1A1LMNASMN1; SMN2CRHBP

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 1067/4885LMNA 4382/4885

“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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