SCHEMBL6981561

SCHEMBL6981561

CN1CCN(c2cc(C(N)=O)ccc2O)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
KDM4E B2RXH2 1/20 0.68
HSD17B10 Q99714 1/20 0.68
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 1/20 0.50
CHEK1 O14757 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
TTR P02766 1/20 0.44
DRD1 P21728 1/20 0.44
HTR2A P28223 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR1D P28221 3/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTPS1 P17812 1/20 0.42

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
SCHEMBL28056217 0.84 ALDH1A1 (0.78) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL6976150 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL6971942 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL6977523 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL1397384 0.81 KDM4E (0.63) ALDH1A1KDM4EHSD17B10DRD2DRD3
SCHEMBL1397512 0.80 ALDH1A1 (0.71) ALDH1A1KDM4EHSD17B10MAPTTTR
Hydrochloric Acid SCHEMBL6343776 0.80 KDM4E (0.62) ALDH1A1KDM4EHSD17B10DRD2DRD3
Hydrochloric Acid SCHEMBL3072094 0.80 KDM4E (0.62) ALDH1A1KDM4EHSD17B10DRD2DRD3
SCHEMBL6977001 0.78 KDM4E (0.68) ALDH1A1KDM4EHSD17B10MAPTLMNA
SCHEMBL6972474 0.77 HSD17B10 (0.59) ALDH1A1KDM4EHSD17B10MAPTLMNA

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 10 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
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 ALDH1A1 2516/4885KDM4E 1086/4885HSD17B10 3660/4885

“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.