SCHEMBL6978950

SCHEMBL6978950

CN1CCN(c2ccc(Br)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 7/20 0.65
MAPT P10636 2/20 0.65
ALDH1A1 P00352 1/20 0.60
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTR6 P50406 8/20 0.55
LMNA P02545 1/20 0.52

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
SCHEMBL2910036 0.88 SIRT6 (0.69) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL27997682 0.86 SIRT6 (0.75) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL30532598 0.86 SIRT6 (0.75) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL29039490 0.84 HPGD (0.63) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL30900326 0.83 SIRT6 (0.67) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL1527190 0.83 SIRT6 (0.67) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL28931649 0.82 SIRT6 (0.65) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL16943474 0.82 MAPT (0.65) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL20340700 0.82 MAPT (0.65) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL10330200 0.82 SIRT6 (0.78) SIRT6MAPTALDH1A1MAPK1L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP disclosed
US-6599904-B2 5-HT6 receptor antagonists are believed to be of potential use in the treatment of certain CNS disorders; cognitive memory enhancement SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-29 US disclosed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 US disclosed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US disclosed
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 CN disclosed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP disclosed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 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-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments TPMT, MPST, STS SIRT6 804/4885MAPT 553/4885ALDH1A1 2516/4885

“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.