SCHEMBL2946987

SCHEMBL2946987

Nc1nc2cc(Cl)ccc2n1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.55
BACE1 P56817 6/20 0.54
NUDT1 P36639 1/20 0.54
PIK3CG P48736 1/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.41
CHEK1 O14757 1/20 0.41
LIMK1 P53667 1/20 0.41
MAPK14 Q16539 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
KCNH2 Q12809 1/20 0.40
NR4A2 P43354 1/20 0.40
TNF P01375 2/20 0.39
NOD2 Q9HC29 2/20 0.39
NOD1 Q9Y239 2/20 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
SCHEMBL1977970 0.79 BACE1 (0.56) BACE1NUDT1PIK3CGCYP1A2MAPT
SCHEMBL2957585 0.77 NOS2 (0.55) NOS2BACE1PIK3CGCYP1A2MAPT
SCHEMBL21130460 0.75 BACE1 (0.49) BACE1NUDT1PIK3CGLMNACYP1A2
SCHEMBL28428214 0.73 NOS2 (0.50) NOS2BACE1PIK3CGCYP1A2KMT2A
SCHEMBL2952899 0.71 NOS2 (1.00) NOS2CYP1A2KMT2ALIMK1CLK4
SCHEMBL21310816 0.70 BACE1 (0.60) BACE1NUDT1KMT2AKCNH2TNF
SCHEMBL15595340 0.70 BACE1 (0.64) BACE1NUDT1KMT2ATNFNOD2
Hydrochloric Acid SCHEMBL2956007 0.69 NOS2 (0.96) NOS2CYP1A2KMT2ALIMK1CLK4
SCHEMBL6181349 0.69 BACE1 (0.43) BACE1NUDT1KMT2A
SCHEMBL5924127 0.68 NOS2 (0.48) NOS2BACE1CYP1A2MAPTMAPK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1576093-A4 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS INC (US) 2009-07-08 EP claimed
CN-101084235-A 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS INC (US) 2007-12-05 CN claimed
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US claimed
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 EP claimed
EP-1576093-A2 3-DEOXYGLUCOSONE AND SKIN Dynamis Therapeutics, Inc. (US) 2005-09-21 EP claimed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 WO claimed
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. 2005-07-21 US claimed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US claimed
WO-2003089601-A2 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS, INC. (US) 2003-10-30 WO claimed
US-20100310482-A1 3-Deoxyglucosone And Skin DYNAMIS THERAPEUTICS, INC. (US) 2010-12-09 US disclosed
US-7749503-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2010-07-06 US disclosed
US-7671019-B2 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. (US) 2010-03-02 US disclosed
US-7622117-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
EP-1576093-A4 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS INC (US) 2009-07-08 EP disclosed
EP-1576093-A2 3-DEOXYGLUCOSONE AND SKIN Dynamis Therapeutics, Inc. (US) 2005-09-21 EP disclosed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 WO disclosed
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. 2005-07-21 US disclosed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003089601-A2 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS, INC. (US) 2003-10-30 WO disclosed
US-5326779-A Method of inhibiting the advanced glycosylation of proteins using 1,2-disubstituted-benzimidazoles THE ROCKEFELLER UNIVERSITY (US) 1994-07-05 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 (4 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-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin FN3K, PDXK, COLGALT1 NOS2 2809/4885BACE1 841/4885NUDT1 660/4885
US-20100310482-A1 3-Deoxyglucosone And Skin DPM1, G6PD, UGGT1 NOS2 2855/4885BACE1 3227/4885NUDT1 364/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 NOS2 2855/4885BACE1 3227/4885NUDT1 364/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE NOS2 1372/4885BACE1 418/4885NUDT1 1063/4885

“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.