SCHEMBL1766005

SCHEMBL1766005

N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)NC(=O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 9/20 0.50
MCHR1 Q99705 1/20 0.48
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
PADI6 Q6TGC4 2/20 0.42
PPARG P37231 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PADI1 Q9ULC6 1/20 0.41
PADI3 Q9ULW8 1/20 0.41
PADI4 Q9UM07 1/20 0.41
PADI2 Q9Y2J8 1/20 0.41
ITGB3 P05106 1/20 0.41

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
SCHEMBL28542235 0.87 TGM2 (0.51) TGM2MCHR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL28542237 0.87 TGM2 (0.51) TGM2MCHR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL15921797 0.85 NPY4R (0.45) TGM2MCHR1SCN5ASCN2A
SCHEMBL290267 0.84 NPC1 (0.50) TGM2ALDH1A1ITGB3
SCHEMBL290268 0.84 NPC1 (0.50) TGM2ALDH1A1ITGB3
SCHEMBL14861047 0.83 SCN5A (0.44) TGM2MCHR1SCN5ASCN2AALDH1A1
SCHEMBL10652468 0.81 GRIN1 (0.48) GRIN1GRIN2APADI6PDE4APDE4B
Naphthalene SCHEMBL28216957 0.81 C3AR1 (0.49) TGM2GRIN1GRIN2APADI6PDE4A
SCHEMBL6553039 0.81 TGM2 (0.45) TGM2GRIN1GRIN2APADI6PDE4A
SCHEMBL27410099 0.81 TGM2 (0.45) TGM2GRIN1GRIN2APADI6PDE4A

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
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

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 TGM2 965/4885MCHR1 3840/4885SCN5A 4754/4885
US-20120225023-A1 PEPTIDE PROTECTION AGAINST ULTRAVIOLET LIGHT TOXICITY CHEK2, CHEK1, DDB1 TGM2 461/4885MCHR1 2406/4885SCN5A 4294/4885

“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.