SCHEMBL5692289

SCHEMBL5692289

CCC(O)c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.37
MAPT P10636 2/20 0.36
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
GRIN2D O15399 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN2B Q13224 2/20 0.35

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
SCHEMBL8912082 0.86 KDM4E (0.38) KDM4ELMNAKMT2AMEN1CYP2D6
SCHEMBL9238656 0.83 KDM4E (0.44) KDM4EKMT2AMEN1CYP2D6
SCHEMBL6321358 0.82 KDM4E (0.37) KDM4EKMT2AMEN1CYP2D6MAPT
SCHEMBL20768154 0.77 KMT2A (0.38) KDM4EKMT2AMEN1CYP2D6
SCHEMBL6698149 0.76 KMT2A (0.34) KDM4EKMT2AMEN1CYP2D6
SCHEMBL8188378 0.73 KMT2A (0.46) KMT2AMEN1CYP2D6
SCHEMBL7246865 0.72 KDM4E (0.39) KDM4ELMNACYP2D6GRIN1GRIN2A
SCHEMBL8806580 0.71 KMT2A (0.44) LMNAKMT2AMEN1MAPT
SCHEMBL392779 0.71 CYP11B1 (0.43) LMNAKMT2AMEN1CYP2D6MAPT
SCHEMBL7672726 0.71 MAPT (0.67) KDM4ELMNAKMT2ACYP2D6MAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904275-B1 PREPARATION OF PHOSPHOROTHIOATE OLIGOMERS UNIV MCGILL (CA) 2006-05-17 EP disclosed
US-6861518-B2 Hybrid oligonucleotide MCGILL UNIVERSITY (CA) 2005-03-01 US disclosed
US-20040097722-A9 Preparation of phosphorothioate oligomers MCGILL UNIVERSITY 2004-05-20 US disclosed
US-20030229219-A1 Preparation of phosphorothioate oligomers ISIS PHARMACEUTICALS, INC. 2003-12-11 US disclosed
US-6596857-B1 Oligomer for use as tool in human diagnostics and therapeutics MCGILL UNIVERSITY (CA) 2003-07-22 US disclosed
US-20030114660-A1 Preparation of phosphorothioate oligomers JUST GEORGE (CA) 2003-06-19 US disclosed
US-6476216-B1 Preparation of phosphorothioate oligomers MCGILL UNIVERSITY (CA) 2002-11-05 US disclosed
US-6160109-A Preparation of phosphorothioate and boranophosphate oligomers ISIS PHARMACEUTICALS, INC. (US) 2000-12-12 US disclosed
US-6031092-A Preparation of phosphorothioate oligomers MC GILL UNIVERSITY (CA) 2000-02-29 US disclosed
WO-2000000499-A1 METHOD FOR PREPARING OLIGONUCLEOTIDES WITH BORANOPHOSPHATE LINKAGES ISIS PHARMACEUTICALS, INC. (US) 2000-01-06 WO disclosed
US-5945521-A Preparation of phosphorothioate oligomers MCGILL UNIVERSITY (CA) 1999-08-31 US disclosed
EP-0904275-A1 PREPARATION OF PHOSPHOROTHIOATE OLIGOMERS McGILL UNIVERSITY (CA) 1999-03-31 EP disclosed
US-5734041-A Preparation of chiral phosphorothioate oligomers MCGILL UNIVERSITY (CA) 1998-03-31 US disclosed
WO-1997014710-A1 PREPARATION OF PHOSPHOROTHIOATE OLIGOMERS MCGILL UNIVERSITY (US) 1997-04-24 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 (3 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-20030114660-A1 Preparation of phosphorothioate oligomers RNGTT, NUDT1, OSGEP KDM4E 4860/4885LMNA 1629/4885KMT2A 4098/4885
US-20030229219-A1 Preparation of phosphorothioate oligomers RNGTT, NUDT1, OSGEP KDM4E 4860/4885LMNA 1629/4885KMT2A 4098/4885
US-20040097722-A9 Preparation of phosphorothioate oligomers RNGTT, NUDT1, OSGEP KDM4E 4860/4885LMNA 1629/4885KMT2A 4098/4885

“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.