SCHEMBL3665295

SCHEMBL3665295

N#Cc1ccccc1-c1cc(-c2ccsc2CO)cc(-n2ccccc2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
CTSA P10619 4/20 0.33
PTPN5 P54829 1/20 0.33
GRIA1 P42261 1/20 0.32
GRIA3 P42263 1/20 0.32
PDE4D Q08499 1/20 0.32
GABRA1 P14867 3/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MME P08473 1/20 0.31
MYC P01106 1/20 0.31
WDR5 P61964 1/20 0.31
FEN1 P39748 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL2763450 0.85 GRIA2 (0.32) GRIA2GRIA4GRIA1GRIA3PDE4D
SCHEMBL2921927 0.83 GRIA1 (0.33) ESR2PTPN5GRIA1GRIA3PDE4D
SCHEMBL3672343 0.80 PIM1 (0.38) ESR2GRIA1GRIA3PDE4D
SCHEMBL5992119 0.78 MCL1 (0.43) ESR2CTSAPTPN5PRMT5WDR77
SCHEMBL3676538 0.78 PTPRC (0.39) ESR2GRIA1GRIA3PDE4DGABRA1
SCHEMBL3681524 0.77 CYP11B1 (0.45) ESR2PTPN5GRIA1GRIA3PDE4D
SCHEMBL1882225 0.76 GRIA1 (0.57) ESR2GRIA2GRIA4GRIA1GRIA3
SCHEMBL3667717 0.74 PGR (0.44) GRIA2GRIA4
SCHEMBL2918046 0.73 GRIA1 (0.56) GRIA1GRIA3PDE4DGABRA1GABRG2
Water SCHEMBL4777578 0.73 GRIA1 (0.56) GRIA1GRIA3PDE4DGABRA1GABRG2

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-2164487-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2164488-A1 AMPA RECEPTOR ANTAGONISTS AND ALDOSE REDUCTASE INHIBITORS FOR NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2164489-A2 COMBINATION OF AMPA RECEPTOR ANTAGONISTS AND ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2131828-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES Eisai R&D Management Co., Ltd. (JP) 2009-12-16 EP disclosed
WO-2009054544-A1 AMPA RECEPTOR ANTAGONISTS FOR PARKINSON'S DISEASE AND MOVEMENT DISORDERS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-04-30 WO disclosed
WO-2009011411-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 WO disclosed
WO-2009011410-A1 AMPA RECEPTOR ANTAGONISTS AND ALDOSE REDUCTASE INHIBITORS FOR NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 WO disclosed
WO-2009011412-A2 COMBINATION OF AMPA RECEPTOR ANTAGONISTS AND ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 WO disclosed
WO-2008111590-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-18 WO disclosed
US-20060276510-A1 Dihydropyridine compounds and compositions for headaches EISAI CO. LTD. (JP) 2006-12-07 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-20060276510-A1 Dihydropyridine compounds and compositions for headaches QDPR, ACHE, HNMT ESR2 4324/4885GRIA2 1942/4885GRIA4 1821/4885

“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.