SCHEMBL6399446

SCHEMBL6399446

BrCc1ccc2sccc2c1.Cc1ccc2sccc2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.54
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
SLC6A2 P23975 3/20 0.39
PDE10A Q9Y233 1/20 0.39
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
DYRK1A Q13627 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL29469368 0.89 CYP2A6 (0.66) CYP2A6SLC6A4SLC6A3SLC6A2PDE10A
SCHEMBL1863293 0.89 CYP2A6 (0.66) CYP2A6SLC6A4SLC6A3SLC6A2PDE10A
SCHEMBL155613 0.84 CYP2A6 (0.50) CYP2A6SLC6A4SLC6A3SLC6A2CA12
SCHEMBL29698806 0.84 CYP2A6 (0.50) CYP2A6SLC6A4SLC6A3SLC6A2CA12
SCHEMBL20198725 0.82 CYP2A6 (0.53) CYP2A6SLC6A4SLC6A3SLC6A2PDE10A
SCHEMBL28744582 0.78 CYP2A6 (0.50) CYP2A6SLC6A4SLC6A3SLC6A2CA12
SCHEMBL7465357 0.78 CYP2A6 (0.46) CYP2A6SLC6A4SLC6A3SLC6A2DYRK1A
SCHEMBL3565973 0.78 CYP1A2 (0.59) CYP2A6SLC6A4SLC6A3SLC6A2CA12
SCHEMBL4312702 0.76 CYP2A6 (0.61) CYP2A6SLC6A4SLC6A3SLC6A2CA12
Oxirane SCHEMBL826986 0.75 SLC6A2 (0.45) CYP2A6SLC6A4SLC6A3SLC6A2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US 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 (2 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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 CYP2A6 486/4885SLC6A4 1743/4885SLC6A3 285/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CYP2A6 459/4885SLC6A4 1507/4885SLC6A3 303/4885

“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.