SCHEMBL3608405

SCHEMBL3608405

COc1ccc(O)c(C2(O)C(=O)Nc3cccc(Br)c32)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.35
SCN9A Q15858 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
BTK Q06187 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
MDM2 Q00987 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL2585350 0.71 SCN9A (0.47) SCN9ATNKSTNKS2DDB1CRBN
SCHEMBL3590488 0.68 DDB1 (0.36) KMT2AMEN1MAPTDRD2DRD1
SCHEMBL24281865 0.67 KMT2A (0.63) KMT2AMEN1SCN9ALMNA
SCHEMBL3608059 0.67 SCN9A (0.33) SCN9A
SCHEMBL29391628 0.63 PGR (0.39) KMT2AMEN1LMNAMAPTBTK
SCHEMBL24251720 0.63 PGR (0.39) KMT2AMEN1LMNAMAPTBTK
SCHEMBL281811 0.63 KMT2A (0.42) KMT2AMEN1MDM2
SCHEMBL19284541 0.62 MEN1 (0.38) KMT2AMEN1MAPTBTKDDB1
SCHEMBL30484130 0.62 PDK2 (0.52) MDM2TNKSTNKS2
SCHEMBL3149249 0.62 PDK2 (0.52) MDM2TNKSTNKS2

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-20110294842-A9 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2011-12-01 US disclosed
US-20100160362-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2010-06-24 US disclosed
CN-101627039-A Spiro (furo [3, 2-c] pyridine-3-3 ' -indol) -2' (1'h)-one derivatives and related compounds for the treatment of sodium-channel mediated diseases, such as pain XENON PHARMACEUTICALS INC 2010-01-13 CN disclosed
EP-2076514-A1 SPIRO (FURO Ý3, 2-C¨PYRIDINE-3-3 ' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2009-07-08 EP disclosed
WO-2008046049-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3 ' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2008-04-17 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 (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-20100160362-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN SCN3A, SCN1B, SCN2B KMT2A 2294/4885MEN1 1302/4885SCN9A 38/4885
US-20110294842-A9 SPIRO (FURO [3, 2-C] PYRIDINE-3-3' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN SCN3A, SCN1B, SCN2B KMT2A 2294/4885MEN1 1302/4885SCN9A 38/4885

“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.