SCHEMBL1765973

SCHEMBL1765973

N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N([N+]=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 5/20 0.43
PADI4 Q9UM07 5/20 0.43
PADI2 Q9Y2J8 4/20 0.43
PDE4A P27815 3/20 0.43
PADI3 Q9ULW8 3/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PADI6 Q6TGC4 1/20 0.43
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
C3AR1 Q16581 2/20 0.39
PTPN1 P18031 1/20 0.37
ALB P02768 1/20 0.37
F10 P00742 2/20 0.37

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
SCHEMBL2876318 0.86 NPY4R (0.45) C3AR1
SCHEMBL5673367 0.86 KISS1R (0.46)
SCHEMBL188589 0.84 C3AR1 (0.52) PADI1PADI4PADI2PDE4APADI3
SCHEMBL7925397 0.84 C3AR1 (0.52) PADI1PADI4PADI2PDE4APADI3
SCHEMBL188590 0.84 C3AR1 (0.52) PADI1PADI4PADI2PDE4APADI3
SCHEMBL10654174 0.82 PADI1 (0.46) PADI1PADI4PADI2PDE4APADI3
SCHEMBL11328555 0.82 PADI1 (0.42) PADI1PADI4PADI2PDE4APADI3
SCHEMBL5943119 0.82 PADI1 (0.42) PADI1PADI4PADI2PDE4APADI3
SCHEMBL9662910 0.82 PADI1 (0.42) PADI1PADI4PADI2PDE4APADI3
SCHEMBL7445644 0.82 NPY4R (0.35) C3AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710033-A1 NUCLEAR-TARGETED DNA REPAIR ENZYMES AND METHODS OF USE Oregon Health & Science University (US) 2020-09-23 EP disclosed
US-20200283745-A1 NUCLEAR-TARGETED DNA REPAIR ENZYMES AND METHODS OF USE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-09-10 US disclosed
EP-2205623-B1 PROTECTIVE SKIN CARE TETRAPEPTIDES HELIX BIOMEDIX INC (US) 2016-03-16 EP disclosed
EP-2512498-B1 PEPTIDE PROTECTION AGAINST ULTRAVIOLET LIGHT TOXICITY HELIX BIOMEDIX INC (US) 2015-09-16 EP disclosed
US-8597902-B2 Peptide protection against ultraviolet light toxicity HELIX BIOMEDIX, INC. (US) 2013-12-03 US disclosed
EP-2512498-A2 PEPTIDE PROTECTION AGAINST ULTRAVIOLET LIGHT TOXICITY Helix Biomedix Inc. (US) 2012-10-24 EP disclosed
US-20120225023-A1 PEPTIDE PROTECTION AGAINST ULTRAVIOLET LIGHT TOXICITY HELIX BIOMEDIX, INC. (US) 2012-09-06 US disclosed
WO-2011063090-A2 PEPTIDE PROTECTION AGAINST ULTRAVIOLET LIGHT TOXICITY HELIX BIOMEDIX INC. (US) 2011-05-26 WO disclosed
EP-2205623-A1 PROTECTIVE SKIN CARE TETRAPEPTIDES Helix Biomedix Inc. (US) 2010-07-14 EP disclosed
US-20090142280-A1 Protective skin care peptides HELIX BIOMEDIX INC. 2009-06-04 US disclosed
WO-2009058244-A1 PROTECTIVE SKIN CARE TETRAPEPTIDES HELIX BIOMEDIX INC. (US) 2009-05-07 WO disclosed
US-20070189982-A1 Diagnostics and treatments of Periodontal disease THE UNIVERSITY OF MELBOURNE (AU) 2007-08-16 US disclosed
EP-0858504-A4 DIAGNOSTICS AND TREATMENTS OF PERIODONTAL DISEASE UNIV MELBOURNE (AU) 2002-12-04 EP disclosed
EP-0858504-A1 DIAGNOSTICS AND TREATMENTS OF PERIODONTAL DISEASE THE UNIVERSITY OF MELBOURNE (AU) 1998-08-19 EP disclosed
WO-1997016542-A1 DIAGNOSTICS AND TREATMENTS OF PERIODONTAL DISEASE THE UNIVERSITY OF MELBOURNE (AU) 1997-05-09 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 (2 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-20200283745-A1 NUCLEAR-TARGETED DNA REPAIR ENZYMES AND METHODS OF USE DCLRE1A, UNG, DCLRE1B PADI1 2467/4885PADI4 2634/4885PADI2 2388/4885
US-20120225023-A1 PEPTIDE PROTECTION AGAINST ULTRAVIOLET LIGHT TOXICITY CHEK2, CHEK1, DDB1 PADI1 636/4885PADI4 714/4885PADI2 779/4885

“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.