SCHEMBL7034412

SCHEMBL7034412

COc1ccc([N+](=O)[O-])cc1OC1CCN(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
HTR1A P08908 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.44
CYP19A1 P11511 4/20 0.44
KMT2A Q03164 2/20 0.43
DRD4 P21917 1/20 0.43
PTGS2 P35354 2/20 0.43
ACHE P22303 1/20 0.43
MEN1 O00255 1/20 0.43
PTGES O14684 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
SCHEMBL8793919 0.94 NPSR1 (0.47) HTTTDP1HTR1ANPSR1L3MBTL1
SCHEMBL5254187 0.88 HTT (0.49) HTTTDP1HTR1ANPSR1L3MBTL1
SCHEMBL31203086 0.86 ALDH1A1 (0.45) HTTTDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL31203117 0.86 ALDH1A1 (0.45) HTTTDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL30962944 0.86 ALDH1A1 (0.45) HTTTDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL31378901 0.85 HTT (0.51) HTTTDP1NPSR1L3MBTL1ALDH1A1
SCHEMBL6819549 0.85 CYP19A1 (0.44) ALDH1A1SMN1; SMN2HPGDCYP19A1KMT2A
SCHEMBL6815887 0.85 SCD (0.47) NPSR1ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL13419609 0.85 HTR2C (0.46) ALDH1A1SMN1; SMN2CYP19A1KMT2APTGS2
SCHEMBL19462017 0.83 ALDH1A1 (0.51) HTTTDP1NPSR1L3MBTL1ALDH1A1

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
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 HTT 1067/4885TDP1 3340/4885HTR1A 2960/4885

“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.