SCHEMBL6972479

SCHEMBL6972479

CCOc1ccc(N)cc1N1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
KDM4E B2RXH2 5/20 0.53
RAD52 P43351 2/20 0.53
GAA P10253 4/20 0.47
ADRA2C P18825 3/20 0.45
ALDH1A1 P00352 7/20 0.45
PTK2B Q14289 2/20 0.45
KMT2A Q03164 2/20 0.45
GFER P55789 2/20 0.45
ESR2 Q92731 1/20 0.45
HSD17B10 Q99714 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
DRD4 P21917 2/20 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
SCHEMBL25565665 0.88 MAPT (0.56) MAPTKDM4ERAD52GAAADRA2C
SCHEMBL9335253 0.87 MAPT (0.49) MAPTKDM4ERAD52GAAADRA2C
SCHEMBL1397389 0.83 DRD2 (0.60) MAPTKDM4ERAD52GAAADRA2C
SCHEMBL7034737 0.82 HTR6 (0.54) MAPTKDM4ERAD52GAAADRA2C
Hydrochloric Acid SCHEMBL6345252 0.81 KDM4E (0.59) MAPTKDM4ERAD52GAAADRA2C
Hydrochloric Acid SCHEMBL6343779 0.81 KDM4E (0.59) MAPTKDM4ERAD52GAAADRA2C
SCHEMBL16644751 0.81 MAPT (0.53) MAPTKDM4ERAD52GAAALDH1A1
SCHEMBL6972474 0.79 HSD17B10 (0.59) MAPTKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL6973216 0.79 KDM4E (0.53) MAPTKDM4ERAD52GAAADRA2C
SCHEMBL14543394 0.78 ALDH1A1 (0.68) MAPTKDM4EGAAALDH1A1KMT2A

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 8 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 claimed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 US claimed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US claimed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP claimed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO claimed
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP 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

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 MAPT 553/4885KDM4E 1086/4885RAD52 4641/4885

“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.