SCHEMBL571843

SCHEMBL571843

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CSCC[C@H](N)C(=O)O)O[C@H]2n1cnc2c(N)nc(NCCCN)nc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 9/20 0.58
DNMT3B Q9UBC3 7/20 0.57
DOT1L Q8TEK3 9/20 0.53
EZH2 Q15910 3/20 0.52
CARM1 Q86X55 2/20 0.52
EHMT2 Q96KQ7 2/20 0.52
PRMT1 Q99873 2/20 0.52
TRDMT1 O14717 1/20 0.52
PRMT5 O14744 1/20 0.52
SUV39H1 O43463 1/20 0.52
PRMT3 O60678 1/20 0.52
INMT O95050 1/20 0.52
NSD2 O96028 1/20 0.52
PNMT P11086 1/20 0.52
NNMT P40261 1/20 0.52
HNMT P50135 1/20 0.52
WDR5 P61964 1/20 0.52
KMT2A Q03164 1/20 0.52
SETDB1 Q15047 1/20 0.52
RBBP5 Q15291 1/20 0.52

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
SCHEMBL571844 1.00 DNMT1 (0.58) DNMT1DNMT3BDOT1LEZH2CARM1
SCHEMBL571845 1.00 DNMT1 (0.58) DNMT1DNMT3BDOT1LEZH2CARM1
SCHEMBL15169764 0.87 DNMT1 (0.73) DNMT1DNMT3BDOT1LEZH2CARM1
SCHEMBL10037213 0.87 DNMT1 (0.73) DNMT1DNMT3BDOT1LEZH2CARM1
SCHEMBL15169768 0.87 DNMT1 (0.73) DNMT1DNMT3BDOT1LEZH2CARM1
SCHEMBL15181225 0.81 DNMT1 (0.64) DNMT1DNMT3BDOT1LEZH2CARM1
SCHEMBL13977691 0.74 DNMT1 (0.61) DNMT1DNMT3BDOT1LEZH2CARM1
SCHEMBL5056803 0.74 DNMT1 (1.00) DNMT1DNMT3BDOT1LEZH2CARM1
SCHEMBL5056816 0.74 DNMT1 (1.00) DNMT1DNMT3BDOT1LEZH2CARM1
SCHEMBL9940463 0.74 PI4KA (0.69) DNMT1DNMT3BDOT1LCARM1EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210664-A1 Methods for the Identification of Methyltransferase Interacting Molecules and for the Purification of Methyltransferase Proteins CELLZOME AG (DE) 2013-08-15 US disclosed
US-20130210664-A1 Methods for the Identification of Methyltransferase Interacting Molecules and for the Purification of Methyltransferase Proteins CELLZOME AG (DE) 2013-08-15 US disclosed
US-20130210664-A1 Methods for the Identification of Methyltransferase Interacting Molecules and for the Purification of Methyltransferase Proteins CELLZOME AG (DE) 2013-08-15 US disclosed
EP-2601527-A1 METHODS FOR THE IDENTIFICATION OF METHYLTRANSFERASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF METHYLTRANSFERASE PROTEINS Cellzome AG (DE) 2013-06-12 EP disclosed
WO-2012016704-A1 METHODS FOR THE IDENTIFICATION OF METHYLTRANSFERASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF METHYLTRANSFERASE PROTEINS CELLZOME AG (DE) 2012-02-09 WO disclosed
WO-2012016704-A1 METHODS FOR THE IDENTIFICATION OF METHYLTRANSFERASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF METHYLTRANSFERASE PROTEINS CELLZOME AG (DE) 2012-02-09 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-20130210664-A1 Methods for the Identification of Methyltransferase Interacting Molecules and for the Purification of Methyltransferase Proteins DNMT1, PRMT6, PRMT8 DNMT1 1/4885DNMT3B 16/4885DOT1L 21/4885

“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.