SCHEMBL3400828

SCHEMBL3400828

NCCC[C@H](NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.64
PRMT1 Q99873 2/20 0.63
DOT1L Q8TEK3 4/20 0.61
PRMT7 Q9NVM4 1/20 0.61
DNMT3B Q9UBC3 1/20 0.61
NSD2 O96028 2/20 0.61
PCMT1 P22061 2/20 0.61
SETD7 Q8WTS6 2/20 0.61
EHMT2 Q96KQ7 2/20 0.61
TRDMT1 O14717 1/20 0.61
PRMT5 O14744 1/20 0.61
RNMT O43148 1/20 0.61
INMT O95050 1/20 0.61
TPMT P51580 1/20 0.61
METTL3 Q86U44 1/20 0.61
CARM1 Q86X55 1/20 0.61
NSD1 Q96L73 1/20 0.61
SETD2 Q9BYW2 1/20 0.61
NSD3 Q9BZ95 1/20 0.61
EHMT1 Q9H9B1 1/20 0.61

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
SCHEMBL29941424 1.00 NNMT (0.64) NNMTPRMT1DOT1LPRMT7DNMT3B
SCHEMBL27514667 0.91 NNMT (0.64) NNMTPRMT1DOT1LPRMT7DNMT3B
SCHEMBL22444816 0.91 NNMT (0.64) NNMTPRMT1DOT1LPRMT7DNMT3B
SCHEMBL9754 0.91 NNMT (0.64) NNMTPRMT1DOT1LPRMT7DNMT3B
SCHEMBL29378634 0.91 NNMT (0.64) NNMTPRMT1DOT1LPRMT7DNMT3B
Hydrogen Sulfide SCHEMBL27973834 0.90 NNMT (0.62) NNMTPRMT1DOT1LPRMT7DNMT3B
SCHEMBL3636881 0.89 DOT1L (0.64) NNMTPRMT1DOT1LPRMT7DNMT3B
SCHEMBL28961195 0.89 DOT1L (0.67) NNMTPRMT1DOT1LPRMT7DNMT3B
SCHEMBL28380075 0.89 DOT1L (0.64) NNMTPRMT1DOT1LPRMT7DNMT3B
SCHEMBL29827630 0.88 DOT1L (0.62) NNMTPRMT1DOT1LPRMT7DNMT3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2245140-A2 COMPOSITIONS COMPRISING HDAC INHIBITORS AND METHODS OF THEIR USE IN RESTORING STEM CELL FUNCTION AND PREVENTING HEART FAILURE New York Medical College (US) 2010-11-03 EP disclosed
US-20090162329-A1 COMPOSITIONS COMPRISING HDAC INHIBITORS AND METHODS OF THEIR USE IN RESTORING STEM CELL FUNCTION AND PREVENTING HEART FAILURE NEW YORK MEDICAL COLLEGE 2009-06-25 US disclosed
WO-2009073618-A2 COMPOSITIONS COMPRISING HDAC INHIBITORS AND METHODS OF THEIR USE IN RESTORING STEM CELL FUNCTION AND PREVENTING HEART FAILURE NEW YORK MEDICAL COLLEGE (US) 2009-06-11 WO disclosed
US-20090062286-A1 Crystal Structure of SMYD3 Protein OSI PHARMACEUTICALS, INC. 2009-03-05 US disclosed
WO-2008137834-A2 CRYSTAL STRUCTURE OF SMYD3 PROTEIN OSI PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 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-20090062286-A1 Crystal Structure of SMYD3 Protein SMYD3, SMYD2, SHMT1 NNMT 91/4885PRMT1 74/4885DOT1L 205/4885

“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.