SCHEMBL23120174

SCHEMBL23120174

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCNCCc2ccccc2)CCC(N)C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.94

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.94
KMT2A Q03164 5/20 0.94
RBBP5 Q15291 5/20 0.94
DPY30 Q9C005 5/20 0.94
ASH2L Q9UBL3 5/20 0.94
EZH2 Q15910 3/20 0.81
PRMT1 Q99873 2/20 0.77
NNMT P40261 8/20 0.74
SMYD3 Q9H7B4 2/20 0.72

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
SCHEMBL23120170 1.00 WDR5 (0.94) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120420 0.97 WDR5 (1.00) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120423 0.97 WDR5 (1.00) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120191 0.94 WDR5 (0.84) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120187 0.94 WDR5 (0.84) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL29743108 0.94 WDR5 (0.83) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120582 0.94 WDR5 (0.88) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120585 0.94 WDR5 (0.88) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120232 0.92 WDR5 (0.81) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23120237 0.92 WDR5 (0.81) WDR5KMT2ARBBP5DPY30ASH2L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021053158-A1 NOVEL HISTONE METHYLTRANSFERASE INHIBITORS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2021-03-25 WO claimed
US-20220184195-A1 INHIBITION OF HISTONE METHYL TRANSFERASES TO TREAT CANCER ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2022-06-16 US disclosed
WO-2021053158-A1 NOVEL HISTONE METHYLTRANSFERASE INHIBITORS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2021-03-25 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-20220184195-A1 INHIBITION OF HISTONE METHYL TRANSFERASES TO TREAT CANCER KMT2A, KMT5A, DOT1L WDR5 357/4885KMT2A 1/4885RBBP5 316/4885

“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.