SCHEMBL4580586

SCHEMBL4580586

O=C1c2ccccc2C(=O)N1c1ccc2cc3ccc(Br)cc3cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.51
ESR2 Q92731 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
CYP2A6 P11509 1/20 0.46
HSP90AA1 P07900 1/20 0.45
SCN2A Q99250 3/20 0.44
PIM3 Q86V86 1/20 0.44
HIPK4 Q8NE63 1/20 0.44
NR1H3 Q13133 1/20 0.43
STAT3 P40763 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 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
SCHEMBL8588168 0.97 ESR1 (0.54) ESR1ESR2KMT2AMEN1CYP1A2
SCHEMBL4578177 0.83 ESR1 (0.48) ESR1ESR2KMT2AMEN1CYP1A2
SCHEMBL3619832 0.79 KMT2A (0.64) ESR1ESR2KMT2AMEN1ALDH1A1
SCHEMBL30390220 0.79 KMT2A (0.64) ESR1ESR2KMT2AMEN1ALDH1A1
SCHEMBL7547818 0.78 MGLL (0.61) ESR1ESR2KMT2AMEN1ALDH1A1
SCHEMBL30368482 0.78 MGLL (0.61) ESR1ESR2KMT2AMEN1ALDH1A1
SCHEMBL29841157 0.78 MGLL (0.61) ESR1ESR2KMT2AMEN1ALDH1A1
SCHEMBL4541543 0.76 ESR1 (0.43) ESR1ESR2KMT2AMEN1CYP1A2
SCHEMBL17125489 0.76 ALDH1A1 (0.53) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL19317166 0.73 MEN1 (0.52) ESR1ESR2KMT2AMEN1SCN2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080160594-A1 Methods of Light Activated Release of Ligands from Endosomes INVITROGEN CORPORATION (US) 2008-07-03 US disclosed
EP-0731807-B1 N-2 SUBSTITUTED PURINES ISIS PHARMACEUTICALS INC (US) 2004-03-17 EP disclosed
US-20030031655-A1 Methods of light activated release of ligands from endosomes SEQUITUR, INC. (US) 2003-02-13 US disclosed
WO-2002062989-A2 METHODS OF LIGHT ACTIVATED RELEASE 0F LIGANDS FROM ENDOSOMES SEQUITUR, INC. (US) 2002-08-15 WO disclosed
EP-0635023-B1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2002-02-06 EP disclosed
US-6232463-B1 CROSSLINKING OLIGONUCLEOTIDES CONTAINING PURINE ANALOGS HAVING REACTIVE SITES ON THE NUCLEOBASE AND ON A SUGAR MOIETY; ANTISENSE AGENTS ISIS PHARMACEUTICALS, INC. 2001-05-15 US disclosed
US-6166199-A N-2 substituted purines ISIS PHARMACEUTICALS, INC (US) 2000-12-26 US disclosed
US-6127124-A MONITORING THE STABILTY OF AN OLIGOMER TO ENZYMATIC DIGESTION; DIGESTING OLIGONUCLEOTIDE, SUBJECTING DIGESTION MIXTURE TO ELECTROPHORESIS, DETECTING DIGESTION PRODUCTS BY FLUORESENCE ISIS PHARMACEUTICALS, INC. (US) 2000-10-03 US disclosed
US-5811534-A PURINE-BASED COMPOUNDS FOR INCLUSION INTO OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1998-09-22 US disclosed
US-5808027-A ANTISENSE AGENTS ISIS PHARMACEUTICALS, INC. (US) 1998-09-15 US disclosed
US-5587469-A USEFUL AS ?ANTISENSE AGENTS? THAT ARE CAPABLE OF SPECIFIC HYBRIDIZATION WITH A NUCLEOTIDE SEQUENCE OF AN RNA ISIS PHARMACEUTICALS, INC. (US) 1996-12-24 US disclosed
EP-0742790-A1 SUBSTITUTED PURINES AND OLIGONUCLEOTIDE CROSS-LINKING ISIS PHARMACEUTICALS, INC. (US) 1996-11-20 EP disclosed
EP-0731807-A1 N-2 SUBSTITUTED PURINES ISIS PHARMACEUTICALS, INC. (US) 1996-09-18 EP disclosed
US-5543507-A BONDING STRANDS OR ONE STRAND AT DIFFERENT SITES; RNA MIMICS FIXED IN SPATIAL CONFORMATION; NUCLEASE RESISTANT MIMICS OF BINDING RECEPTORS FOR NUCLEIC ACID-BINDING PROTEINS; 5-LIPOXYGENASE INHIBITORS; DIAGNOSIS; ANALYZING ISIS PHARMACEUTICALS, INC. (US) 1996-08-06 US disclosed
EP-0635023-A4 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES. ISIS PHARMACEUTICALS INC (US) 1996-03-20 EP disclosed
US-5459255-A For incorporation into oligonucleotides, cleaving RNA site specifically ISIS PHARMACEUTICALS, INC. (US) 1995-10-17 US disclosed
WO-1995021184-A1 SUBSTITUTED PURINES AND OLIGONUCLEOTIDE CROSS-LINKING ISIS PHARMACEUTICALS, INC. (US) 1995-08-10 WO disclosed
WO-1995014707-A1 N-2 SUBSTITUTED PURINES ISIS PHARMACEUTICALS, INC. (US) 1995-06-01 WO disclosed
EP-0635023-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1995-01-25 EP disclosed
WO-1993018052-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1993-09-16 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-20030031655-A1 Methods of light activated release of ligands from endosomes LAMP2, PLAUR, CLTB ESR1 1773/4885ESR2 1340/4885KMT2A 4666/4885

“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.