SCHEMBL13976438

SCHEMBL13976438

CCN(CC[C@H](N)C(=O)O)C[C@H]1OC(n2cnc3c(N)nc(NCCNC(=O)CCCCCNS(C)(=O)=O)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.53
SETD2 Q9BYW2 1/20 0.53
PRMT1 Q99873 6/20 0.53
WDR5 P61964 3/20 0.52
KMT2A Q03164 3/20 0.52
RBBP5 Q15291 3/20 0.52
DPY30 Q9C005 3/20 0.52
ASH2L Q9UBL3 3/20 0.52
TRDMT1 O14717 3/20 0.51
DOT1L Q8TEK3 1/20 0.50
SMYD2 Q9NRG4 1/20 0.48
EZH2 Q15910 1/20 0.48

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
SCHEMBL13978308 1.00 SMYD3 (0.53) SMYD3SETD2PRMT1WDR5KMT2A
SCHEMBL13978307 0.93 EZH2 (0.58) SMYD3SETD2PRMT1WDR5KMT2A
SCHEMBL13976436 0.93 EZH2 (0.58) SMYD3SETD2PRMT1WDR5KMT2A
SCHEMBL17049511 0.93 TRDMT1 (0.51) SMYD3SETD2PRMT1WDR5KMT2A
SCHEMBL13966926 0.89 NSD2 (0.56) SETD2PRMT1TRDMT1DOT1L
SCHEMBL13976131 0.89 ADORA2A (0.48)
SCHEMBL13976128 0.88 ADORA2A (0.49)
SCHEMBL13978315 0.88 ADORA2A (0.49)
SCHEMBL13978385 0.88 ADORA2A (0.48) KMT2A
SCHEMBL13976129 0.88 ADORA2A (0.48) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295283-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-22 US 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-20120295283-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS SAMSN1, TIPARP, SPR SMYD3 1521/4885SETD2 4731/4885PRMT1 368/4885

“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.