SCHEMBL3423921

SCHEMBL3423921

COc1ccc(C(OC[C@@H](O)CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
TLR2 O60603 2/20 0.41
MDM2 Q00987 1/20 0.40
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.37
BMP1 P13497 1/20 0.36

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 1.00 KMT2A (0.46) KMT2ATLR2MDM2MDM4TP53
SCHEMBL20371116 0.92 KMT2A (0.44) KMT2AMDM2MDM4TP53MEN1
SCHEMBL3423912 0.88 KMT2A (0.45) KMT2ATLR2MDM4TP53
SCHEMBL25631518 0.87 KMT2A (0.45) KMT2ATLR2MDM2MDM4TP53
SCHEMBL8843737 0.86 KMT2A (0.52) KMT2ATLR2MDM2MDM4TP53
SCHEMBL3419719 0.86 KMT2A (0.40) KMT2ATLR2MDM2MDM4TP53
SCHEMBL889934 0.86 KMT2A (0.40) KMT2ATLR2MDM2MDM4TP53
SCHEMBL6419856 0.85 MEN1 (0.44) KMT2AMEN1ALDH1A1
SCHEMBL7801461 0.84 KMT2A (0.52) KMT2AMDM2MDM4TP53
SCHEMBL1594877 0.83 MDM2 (0.43) KMT2ATLR2MDM2MDM4TP53

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 2047/4885MDM2 333/4885
US-20050064463-A1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders DDB1, LIG3, MSH2 KMT2A 3342/4885TLR2 4198/4885MDM2 193/4885
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS DDB1, LIG3, MSH2 KMT2A 3342/4885TLR2 4198/4885MDM2 193/4885

“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.