SCHEMBL6974027

SCHEMBL6974027

COc1ccc([N+](=O)[O-])c(C)c1N1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 6/20 0.61
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
HTR6 P50406 4/20 0.46
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6976111 0.80 SIRT6 (0.54) SIRT6ALDH1A1MAPTLMNAHTR6
SCHEMBL6972658 0.78 DRD2 (0.46) SIRT6ALDH1A1MAPTMAPK1HTT
SCHEMBL29537193 0.76 SIRT6 (0.80) SIRT6ALDH1A1MAPTLMNAHTR6
SCHEMBL1527207 0.76 SIRT6 (0.80) SIRT6ALDH1A1MAPTLMNAHTR6
SCHEMBL520015 0.76 SIRT6 (1.00) SIRT6ALDH1A1MAPTLMNAHTR6
SCHEMBL21590165 0.75 MAPT (0.47) SIRT6ALDH1A1MAPTHTR6MAPK1
SCHEMBL9564458 0.74 MAPT (0.54) SIRT6ALDH1A1MAPTLMNAHTR6
SCHEMBL31077739 0.73 ALDH1A1 (0.55) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL4466194 0.73 ALDH1A1 (0.55) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL9072461 0.72 ALDH1A1 (0.50) SIRT6ALDH1A1MAPTLMNAMAPK1

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 6 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
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 804/4885ALDH1A1 2516/4885MAPT 553/4885

“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.