SCHEMBL13978098

SCHEMBL13978098

Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](C[C@@H](N)CC[C@H](N)C(=O)O)O1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 5/20 0.72
NSD2 O96028 5/20 0.72
CARM1 Q86X55 5/20 0.72
SETD7 Q8WTS6 4/20 0.72
EHMT2 Q96KQ7 4/20 0.72
NNMT P40261 4/20 0.72
PRMT1 Q99873 3/20 0.72
PCMT1 P22061 2/20 0.72
TRDMT1 O14717 2/20 0.72
PRMT5 O14744 2/20 0.72
INMT O95050 2/20 0.72
METTL3 Q86U44 2/20 0.72
EHMT1 Q9H9B1 2/20 0.72
METTL14 Q9HCE5 2/20 0.72
SETD2 Q9BYW2 2/20 0.72
RNMT O43148 1/20 0.72
TPMT P51580 1/20 0.72
NSD1 Q96L73 1/20 0.72
NSD3 Q9BZ95 1/20 0.72
FASN P49327 3/20 0.56

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
SCHEMBL27092933 0.86 NNMT (0.57) DOT1LNSD2CARM1SETD7EHMT2
SCHEMBL27092925 0.86 NNMT (0.57) DOT1LNSD2CARM1SETD7EHMT2
SCHEMBL1889400 0.85 ENPP1 (0.59) DOT1LNSD2CARM1SETD7EHMT2
SCHEMBL20097045 0.85 DOT1L (0.73) DOT1LNSD2CARM1SETD7EHMT2
SCHEMBL27092984 0.85 DOT1L (0.73) DOT1LNSD2CARM1SETD7EHMT2
Sinefungin SCHEMBL24478706 0.84 NSD2 (1.00) DOT1LNSD2CARM1SETD7EHMT2
Sinefungin SCHEMBL167609 0.84 NSD2 (1.00) DOT1LNSD2CARM1SETD7EHMT2
Sinefungin SCHEMBL3400839 0.84 NSD2 (1.00) DOT1LNSD2CARM1SETD7EHMT2
Sinefungin SCHEMBL20992057 0.84 NSD2 (1.00) DOT1LNSD2CARM1SETD7EHMT2
Sinefungin SCHEMBL19421010 0.84 NSD2 (1.00) DOT1LNSD2CARM1SETD7EHMT2

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 2 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
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 (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-20150322107-A1 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS SAMSN1, TIPARP, SPR DOT1L 3457/4885NSD2 4306/4885CARM1 1923/4885

“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.