SCHEMBL3918733

SCHEMBL3918733

Cc1cn(CC(=O)N(C[C]=O)CCN)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
TYMP P19971 1/20 0.38
TK1 P04183 1/20 0.37

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
SCHEMBL6837658 0.89 MAPK1 (0.40) KMT2AMAPK1HPGDTYMPTK1
SCHEMBL14542978 0.84 MAPK1 (0.40) MAPK1HPGDCA12CA1CA2
SCHEMBL16297679 0.84 MAPK1 (0.40) MAPK1HPGDCA12CA1CA2
SCHEMBL7550172 0.84 TK1 (0.39) KMT2AMAPK1HPGDTK1
SCHEMBL3918737 0.83 TK1 (0.40) MAPK1HPGDCA12CA1CA2
SCHEMBL7761597 0.83 HPGD (0.41) MAPK1HPGDCA12CA1CA2
SCHEMBL8045900 0.81 TK1 (0.46) MAPK1HPGDCA12CA1CA2
SCHEMBL6837969 0.79 TYMP (0.41) KMT2AMAPK1HPGDTYMPTK1
SCHEMBL6837655 0.78 TYMP (0.43) KMT2AMAPK1HPGDTYMPTK1
SCHEMBL28985698 0.74 MAPK1 (0.49) KMT2AMAPK1HPGDTYMPTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485421-B2 Polyamide-oligonucleotide derivatives, their preparation and use HOECHST GMBH (DE) 2009-02-03 US disclosed
EP-1113021-B1 Polyamide-oligonucleotide derivatives, their production and use SANOFI AVENTIS DEUTSCHLAND (DE) 2006-08-09 EP disclosed
US-20050026817-A1 Polyamide-oligonucleotide derivatives, their preparation and use AVENTIS PHARMA DEUTSCHLAND GMBH (US) 2005-02-03 US disclosed
US-6756199-B1 USED FOR THE SYNTHESIS OF BOTH PREDEFINED AND RANDOM SEQUENCE PEPTIDE NUCLEIC ACID OLIGOMERS ISIS PHARMACEUTICALS, INC. 2004-06-29 US disclosed
EP-0672677-B1 Polyamide-oligonucleotide derivatives, their production and use AVENTIS PHARMA GMBH (DE) 2002-07-03 EP disclosed
EP-0761681-B1 Process for the preparation of substituted derivatives of N-ethylglycine HOECHST AG (DE) 2002-03-13 EP disclosed
EP-1113021-A2 Polyamide-oligonucleotide derivatives, their production and use Aventis Pharma Deutschland GmbH (DE) 2001-07-04 EP disclosed
US-6204326-B1 ADDING PEPTIDE NUCLEIC ACID UNITS TO AN AMINE TERMINATED PEPTIDE NUCLEIC ACID OLIGOMER ON A SOLID PHASE SYNTHETIC RESIN; BIOSYNTHESIS ISIS PHARMACEUTICALS, INC. 2001-03-20 US disclosed
US-6169169-B1 SHORT, SPECIES SPECIFIC, PEPTIDE NUCLEIC ACID HYBRIDIZATION PROBES FOR DIAGNOSIS OF UROGENITAL DISORDERS; HAVING N-(2-AMINOETHYL)GLYCINE UNITS IN AMIDE LINKAGE WITH THE GLYCINE NITROGEN CONNECTED TO NUCLEOBASES DAKO A/S (DK) 2001-01-02 US disclosed
US-6121418-A PNA synthesis using a base-labile amino protecting group HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed
EP-0777678-A1 PNA COMBINATORIAL LIBRARIES AND IMPROVED METHODS OF SYNTHESIS ISIS PHARMACEUTICALS, INC. (US) 1997-06-11 EP disclosed
EP-0761681-A2 Process for the preparation of substituted derivatives of N-ethylglycine HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-12 EP disclosed
EP-0760008-A1 PNA PROBES FOR DETECTION OF NEISSERIA GONORRHOEAE AND CHLAMYDIA TRACHOMATIS DAKO A/S (DK) 1997-03-05 EP disclosed
US-5539083-A FROM HALOACETYL HALIDE OR SULFONYLACETYL HALIDE, PROTECTED ALKYLENEDIAMINE, AND A DERIVATIVE OF A NUCLEIC ACID BASE ISIS PHARMACEUTICALS, INC. (US) 1996-07-23 US disclosed
WO-1995032305-A1 PNA PROBES FOR DETECTION OF NEISSERIA GONORRHOEAE AND CHLAMYDIA TRACHOMATIS DAKO A/S (DK) 1995-11-30 WO 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
EP-0672701-A1 PNA-synthesis using a base labile aminoprotecting group HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
EP-0672677-A2 Polyamide-oligonucleotide derivatives, their production and use HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
EP-0672700-A1 PNA-synthesis using an aminoprotecting group which is labile against weak acids HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
WO-1995023163-A1 PNA COMBINATORIAL LIBRARIES AND IMPROVED METHODS OF SYNTHESIS ISIS PHARMACEUTICALS, INC. (US) 1995-08-31 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-20050026817-A1 Polyamide-oligonucleotide derivatives, their preparation and use POLRMT, POLR2H, POLN KMT2A 2106/4885MAPK1 3965/4885HPGD 3786/4885

“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.