SCHEMBL3423912

SCHEMBL3423912

COc1ccccc1C(OC[C@H](O)CNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
TLR2 O60603 2/20 0.40
FABP5 Q01469 1/20 0.40
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
CASP3 P42574 1/20 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
SCHEMBL889833 0.88 KMT2A (0.46) KMT2ATLR2MDM4TP53
SCHEMBL3423921 0.88 KMT2A (0.46) KMT2ATLR2MDM4TP53
SCHEMBL20371116 0.80 KMT2A (0.44) KMT2AFABP5MDM4TP53CASP3
SCHEMBL889971 0.77 KMT2A (0.57) KMT2ATLR2
SCHEMBL888340 0.77 KMT2A (0.57) KMT2ATLR2
SCHEMBL888338 0.77 KMT2A (0.57) KMT2ATLR2
SCHEMBL3419719 0.76 KMT2A (0.40) KMT2ATLR2MDM4TP53
SCHEMBL889934 0.76 KMT2A (0.40) KMT2ATLR2MDM4TP53
SCHEMBL25631518 0.75 KMT2A (0.45) KMT2ATLR2MDM4TP53CASP3
SCHEMBL8843737 0.75 KMT2A (0.52) KMT2ATLR2MDM4TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7794945-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2010-09-14 US disclosed
US-7556923-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-07-07 US disclosed
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2009-02-19 US disclosed
EP-0819133-B1 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES EPOCH BIOSCIENCES INC (US) 2008-01-02 EP disclosed
US-6884584-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH BIOSCIENCES, INC. (US) 2005-04-26 US disclosed
US-20050064463-A1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders DRUG ROYALTY LP1 (CA) 2005-03-24 US disclosed
US-20040058322-A1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH PHARMACEUTICALS, INC. (US) 2004-03-25 US disclosed
US-6492346-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH PHARMACEUTICALS, INC. 2002-12-10 US disclosed
US-6486308-B2 NUCLEOTIDE SEQUENCE BINDING PARTICLES; FOR USE AS THERAPEUTIC AND DIAGNOSTIC TOOLS EPOCH BIOSCIENCES, INC. 2002-11-26 US disclosed
US-6426408-B1 PLURALITY OF NUCLEOTIDE UNITS WITH LINKING GROUP EPOCH BIOSCIENCES, INC. 2002-07-30 US disclosed
US-20020052482-A1 Covalently linked oligonucleotide minor grove binder conjugates MICROPROBE 2002-05-02 US disclosed
US-6312894-B1 HYBRIDIZATION OF OLIGONUCLEOTIDES AND MINOR GROOVE BINDER COMBINATION; WHERE THE MINOR GROOVE BINDER BINDS IN A NON-INTERCALATING MANNER WITH A HIGHER ASSOCIATION CONSTANT EPOCH PHARMACEUTICALS, INC. 2001-11-06 US disclosed
US-6084102-A THE OLIGONUCLEOTIDE IS COMPLEMENTARY TO A TARGET SEQUENCE OF SINGLE STRANDED OR DOUBLE STRANDED DNA, RNA OR HYBRIDS AND, WHEN USED AS A PROBE, BINDS MORE STRONGLY BECAUSE OF THE BOUND MINOR GROVE BINDER; MEDICAL DIAGNOSIS; ANTISENSE THERAPY EPOCH PHARMACEUTICALS, INC. (US) 2000-07-04 US disclosed
EP-0819133-A2 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES EPOCH PHARMACEUTICALS, INC. (US) 1998-01-21 EP disclosed
WO-1996032496-A2 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES MICROPROBE CORPORATION (US) 1996-10-17 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 (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-20020052482-A1 Covalently linked oligonucleotide minor grove binder conjugates CD2BP2, MICA, SELPLG KMT2A 2002/4885TLR2 2047/4885FABP5 443/4885
US-20050064463-A1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders DDB1, LIG3, MSH2 KMT2A 3342/4885TLR2 4198/4885FABP5 840/4885
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS DDB1, LIG3, MSH2 KMT2A 3342/4885TLR2 4198/4885FABP5 840/4885

“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.