SCHEMBL2957526

SCHEMBL2957526

Nc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1N

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.68
RAB9A P51151 13/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
PKM P14618 3/20 0.68
MAOB P27338 1/20 0.68
ADORA2A P29274 1/20 0.68
TP53 P04637 2/20 0.66
SCD O00767 1/20 0.66
OPRK1 P41145 1/20 0.66
KLF5 Q13887 1/20 0.66
KDM4E B2RXH2 1/20 0.66
HSD17B10 Q99714 1/20 0.66
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPT P10636 1/20 0.64
IRAK4 Q9NWZ3 2/20 0.63
ALDH1A1 P00352 1/20 0.63

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
SCHEMBL9963858 0.86 RAB9A (0.76) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL11703736 0.86 NPC1 (0.91) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL16562173 0.85 NPC1 (0.78) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL11703862 0.85 NPC1 (0.83) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL4247281 0.85 NPC1 (0.65) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL13076211 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL11705464 0.84 RAB9A (0.72) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL3926899 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL28376966 0.82 NPC1 (0.74) NPC1RAB9ASMN1; SMN2PKMMAOB
SCHEMBL11719912 0.82 NPC1 (0.74) NPC1RAB9ASMN1; SMN2PKMMAOB

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 19 patents. 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
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US claimed
EP-1576093-A2 3-DEOXYGLUCOSONE AND SKIN Dynamis Therapeutics, Inc. (US) 2005-09-21 EP 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
US-20080292568-A1 3-Deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2008-11-27 US disclosed
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US disclosed
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 EP disclosed
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof BROWN TRUMAN R 2006-04-27 US 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
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed
US-5476849-A Inhibiting advanced glycosylation and/or crosslinking of target protein THE ROCKEFELLER UNIVERSITY (US) 1995-12-19 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 (6 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 NPC1 3937/4885RAB9A 3851/4885SMN1; SMN2 2850/4885
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 NPC1 3552/4885RAB9A 3292/4885SMN1; SMN2 3831/4885
US-20100310482-A1 3-Deoxyglucosone And Skin DPM1, G6PD, UGGT1 NPC1 2354/4885RAB9A 3894/4885SMN1; SMN2 3746/4885
US-20080292568-A1 3-Deoxyglucosone and skin DPM1, G6PD, UGGT1 NPC1 2354/4885RAB9A 3894/4885SMN1; SMN2 3746/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 NPC1 2354/4885RAB9A 3894/4885SMN1; SMN2 3746/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE NPC1 4522/4885RAB9A 1555/4885SMN1; SMN2 3654/4885

“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.