SCHEMBL17250042

SCHEMBL17250042

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1OCC1=CNNN1CCOCCOCCOCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 6/20 0.41
▸ NSD2 O96028 5/20 0.41
▸ SETD7 Q8WTS6 3/20 0.41
▸ PCMT1 P22061 2/20 0.41
▸ DOT1L Q8TEK3 2/20 0.41
▸ RNMT O43148 2/20 0.41
▸ EHMT2 Q96KQ7 2/20 0.41
▸ CARM1 Q86X55 2/20 0.41
▸ PRMT1 Q99873 2/20 0.41
▸ SETD2 Q9BYW2 2/20 0.41
▸ INMT O95050 2/20 0.41
▸ TPMT P51580 2/20 0.41
▸ TRDMT1 O14717 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ METTL3 Q86U44 1/20 0.41
▸ NSD1 Q96L73 1/20 0.41
▸ NSD3 Q9BZ95 1/20 0.41
▸ EHMT1 Q9H9B1 1/20 0.41
▸ METTL14 Q9HCE5 1/20 0.41
▸ FOLH1 Q04609 1/20 0.39

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
SCHEMBL13966949 0.90 NSD2 (0.41) NNMTNSD2SETD7PCMT1DOT1L
SCHEMBL13977980 0.85 NNMT (0.40) NNMTNSD2SETD7PCMT1DOT1L
SCHEMBL31533321 0.76 FOLH1 (0.42) NNMTDOT1LTRDMT1FOLH1
SCHEMBL30238904 0.75 DOT1L (0.44) NNMTDOT1L
SCHEMBL13966934 0.74 NNMT (0.42) NNMTNSD2SETD7PCMT1DOT1L
SCHEMBL30238998 0.73 EPRS1 (0.44) DOT1LFOLH1
SCHEMBL19429334 0.68 DOT1L (0.46) DOT1LPRMT5
SCHEMBL19434124 0.68 DOT1L (0.46) DOT1LPRMT5
SCHEMBL30239308 0.66 HTRA2 (0.41) DOT1LFOLH1ALB
SCHEMBL31001488 0.66 CA12 (0.48) FOLH1

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
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

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 NNMT 863/4885NSD2 4306/4885SETD7 4358/4885

“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.

Send feedback