SCHEMBL6978795

SCHEMBL6978795

COc1ccc([N+](=O)[O-])cc1N1CCN(C(=O)C2CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
MAPT P10636 6/20 0.53
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.52
SLC6A5 Q9Y345 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.48
GAA P10253 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL15658785 0.85 LMNA (0.56) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL15658784 0.85 LMNA (0.56) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3255238 0.83 TDP1 (0.66) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21644501 0.82 ALDH1A1 (0.54) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6969829 0.81 ALDH1A1 (0.55) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1612901 0.81 LMNA (0.67) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL3258234 0.81 MAPT (0.65) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL6980847 0.81 TP53 (0.53) TDP1MAPTALDH1A1LMNAMEN1
SCHEMBL6977711 0.81 TDP1 (0.67) TDP1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4865184 0.80 HTR6 (0.62) TDP1MAPTALDH1A1LMNASMN1; SMN2

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 TDP1 3340/4885MAPT 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.