SCHEMBL3249628

SCHEMBL3249628

COC(=O)CNCCNC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL6476023 0.91 KIF11 (0.43) KIF11MAPK1MEN1KMT2AATM
SCHEMBL3265797 0.90 LTA4H (0.50) KIF11MEN1KMT2ALMNASMN1; SMN2
SCHEMBL30610089 0.82 KIF11 (0.49) KIF11MAPK1MEN1KMT2ANPC1
SCHEMBL14356107 0.82 KIF11 (0.49) KIF11MAPK1MEN1KMT2ANPC1
SCHEMBL10276699 0.81 KIF11 (0.46) KIF11MAPK1NPC1RAB9ALMNA
SCHEMBL4363002 0.80 KIF11 (0.49) KIF11MAPK1MEN1KMT2ALMNA
SCHEMBL12225852 0.80 KIF11 (0.49) KIF11MAPK1MEN1KMT2ALMNA
SCHEMBL6854126 0.80 KIF11 (0.42) KIF11MEN1KMT2AATMNPC1
SCHEMBL6750468 0.80 KIF11 (0.42) KIF11MEN1KMT2AATMNPC1
SCHEMBL6750471 0.78 KIF11 (0.47) KIF11MAPK1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232157-B1 NON-AGGREGATING, NON-QUENCHING OLIGOMERS COMPRISING NUCLEOTIDE ANALOGUES; METHODS OF SYNTHESIS AND USE THEREOF EPOCH BIOSCIENCES INC (US) 2010-05-05 EP disclosed
US-6972328-B2 Non-aggregating non-quenching oligomer comprising nucelotide analogs, method of synthesis and use thereof EPOCH BIOSCIENCES, INC. (US) 2005-12-06 US disclosed
US-20050239121-A1 Non-aggregating non-quenching oligomers comprising nucleotide analogs; methods of synthesis and use thereof EPOCH BIOSCIENCES, INC. (US) 2005-10-27 US disclosed
US-20040116689-A1 Non-aggregating non-quenching oligomer comprising nucelotide analogs, method of synthesis and use thereof EPOCH BIOSCIENCES, INC. (US) 2004-06-17 US disclosed
US-6660845-B1 Peptide nucleic acids in which one or more purine bases are substituted by a pyrazolo(5,4-d)pyrimidine or by a 7-deazapurine purine analogue; improved hybridization analysis EPOCH BIOSCIENCES, INC. 2003-12-09 US disclosed
US-6465650-B1 INTERMEDIATE STEPS IN PREPARING PEPTIDE NUCLEIC ACIDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-10-15 US disclosed
EP-1232157-A2 NON-AGGREGATING, NON-QUENCHING OLIGOMERS COMPRISING NUCLEOTIDE ANALOGUES; METHODS OF SYNTHESIS AND USE THEREOF Epoch Biosciences, Inc. (US) 2002-08-21 EP disclosed
WO-2001038584-A2 NON-AGGREGATING, NON-QUENCHING OLIGOMERS COMPRISING NUCLEOTIDE ANALOGUES; METHODS OF SYNTHESIS AND USE THEREOF EPOCH BIOSCIENCES, INC. (US) 2001-05-31 WO disclosed
US-6075143-A USEFUL FOR FORMING PEPTIDE NUCLEIC ACIDS OR HYBRID OF PEPTIDE NUCLEIC ACIDS AND DEOXYNUCLEIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
EP-0672661-A1 Substituted N-ethyl-glycinderivatives for the preparation of PNA and PNA-/DNA hybrides HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP 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-20050239121-A1 Non-aggregating non-quenching oligomers comprising nucleotide analogs; methods of synthesis and use thereof RNGTT, PABPC4, ADAR KIF11 3673/4885CYP1A2 4059/4885CYP2C19 4397/4885

“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.