SCHEMBL13966924

SCHEMBL13966924

CS(=O)(=O)NCCCOCCOCCOCCCNCCO[C@@H]1[C@H](O)[C@@H](C[C@@H](N)CC[C@H](N)C(=O)O)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 6/20 0.61
CARM1 Q86X55 4/20 0.61
NNMT P40261 4/20 0.61
SETD7 Q8WTS6 3/20 0.61
PCMT1 P22061 2/20 0.61
DOT1L Q8TEK3 2/20 0.61
PRMT1 Q99873 2/20 0.61
SETD2 Q9BYW2 2/20 0.61
EHMT2 Q96KQ7 2/20 0.61
RNMT O43148 2/20 0.61
TRDMT1 O14717 1/20 0.61
PRMT5 O14744 1/20 0.61
INMT O95050 1/20 0.61
TPMT P51580 1/20 0.61
METTL3 Q86U44 1/20 0.61
NSD1 Q96L73 1/20 0.61
NSD3 Q9BZ95 1/20 0.61
EHMT1 Q9H9B1 1/20 0.61
METTL14 Q9HCE5 1/20 0.61
FASN P49327 1/20 0.51

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
SCHEMBL13966928 0.84 NSD2 (0.54) NSD2CARM1NNMTSETD7PCMT1
SCHEMBL13966923 0.84 NSD2 (0.55) NSD2CARM1NNMTSETD7PCMT1
SCHEMBL13976309 0.84 NSD2 (0.55) NSD2CARM1NNMTSETD7PCMT1
SCHEMBL13966930 0.83 NSD2 (0.53) NSD2CARM1NNMTSETD7PCMT1
SCHEMBL13966948 0.83 DOT1L (0.46) NSD2CARM1NNMTSETD7PCMT1
SCHEMBL17250752 0.82 NSD2 (0.56) NSD2CARM1NNMTSETD7PCMT1
SCHEMBL17049404 0.79 NSD2 (0.54) NSD2CARM1NNMTSETD7PCMT1
SCHEMBL13966927 0.79 NSD2 (0.55) NSD2CARM1NNMTSETD7PCMT1
SCHEMBL13966933 0.79 NSD2 (0.53) NSD2CARM1NNMTSETD7PCMT1
SCHEMBL13836236 0.79 NSD2 (0.75) NSD2CARM1NNMTSETD7PCMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322107-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS CAYMAN CHEMICAL COMPANY, INCORPORATED 2015-11-12 US disclosed
US-20150323542-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 2015-11-12 US disclosed
US-20150322107-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS CAYMAN CHEMICAL COMPANY, INCORPORATED 2015-11-12 US disclosed
US-9120820-B2 Fluorescent molecular probes for use in assays that measure test compound competitive binding with SAM-utilizing proteins CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2015-09-01 US disclosed
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
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
WO-2012159072-A2 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2012-11-22 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 (3 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-20150322107-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS SAMSN1, TIPARP, SPR NSD2 4306/4885CARM1 1923/4885NNMT 863/4885
US-20150323542-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS SAMSN1, TIPARP, SPR NSD2 4306/4885CARM1 1923/4885NNMT 863/4885
US-20120295283-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS SAMSN1, TIPARP, SPR NSD2 4306/4885CARM1 1923/4885NNMT 863/4885

“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.