SCHEMBL6982016

SCHEMBL6982016

COc1ccc([N+](=O)[O-])cc1N1CC[N]CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.56
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPK1 P28482 3/20 0.56
TDP1 Q9NUW8 2/20 0.50
HTR6 P50406 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
SLC6A5 Q9Y345 1/20 0.45
HTR1A P08908 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL4865184 0.84 HTR6 (0.62) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1613091 0.83 HTR6 (0.66) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL283237 0.83 ALDH1A1 (0.60) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL29833031 0.83 SLC6A5 (0.61) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL520263 0.83 SLC6A5 (0.61) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL3258618 0.82 HTR6 (0.65) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL8715563 0.82 HTR6 (0.65) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL31429171 0.81 LMNA (0.54) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL21644501 0.81 ALDH1A1 (0.54) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL15658784 0.80 LMNA (0.56) LMNAMAPTALDH1A1SMN1; SMN2MAPK1

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 LMNA 3618/4885MAPT 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.