SCHEMBL3590488

SCHEMBL3590488

COc1ccc(O)c(C2C(=O)Nc3cccc(Br)c32)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
ALOX5 P09917 3/20 0.32
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL3608405 0.68 KMT2A (0.38) DDB1CRBNMEN1MAPTKMT2A
SCHEMBL31728148 0.66 CREBBP (0.44) BRD4CREBBPPOLB
SCHEMBL24330111 0.65 CYBB (0.36) BRD4CREBBPMEN1GAAMAPT
SCHEMBL1408874 0.64 IDO1 (0.36) DDB1CRBNBRD4CREBBPMEN1
SCHEMBL31256595 0.63 CREBBP (0.42) BRD4CREBBPPOLB
SCHEMBL25343837 0.63 CREBBP (0.42) BRD4CREBBPPOLB
SCHEMBL1428730 0.63 DDB1 (0.37) DDB1CRBNBRD4CREBBPMEN1
SCHEMBL281709 0.61 BRD4 (0.35) BRD4CREBBPDRD2DRD1
SCHEMBL15522843 0.60 CREBBP (0.34) BRD4CREBBPKDM4EGAAMAPT
SCHEMBL30619421 0.60 POLB (0.40) KDM4EMEN1POLBKMT2A

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 DDB1 4673/4885CRBN 4224/4885BRD4 3379/4885
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 DDB1 4673/4885CRBN 4224/4885BRD4 3379/4885

“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.