SCHEMBL2954477

SCHEMBL2954477

CC(C)CNC(=O)c1ccc(N)c(N)c1.Nc1ccc(C(=O)NCc2ccco2)cc1N

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.57
ALDH1A1 P00352 6/20 0.57
MAPT P10636 4/20 0.57
POLB P06746 3/20 0.57
USP2 O75604 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 3/20 0.56
TP53 P04637 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
PKM P14618 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ATM Q13315 1/20 0.53

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
SCHEMBL5524723 0.90 HPGD (0.67) HPGDALDH1A1MAPTPOLBTDP1
SCHEMBL3946696 0.83 KDM4E (0.75) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL14452241 0.79 L3MBTL1 (0.71) HPGDALDH1A1MAPTPOLBUSP2
SCHEMBL13212973 0.76 TDP1 (0.73) HPGDALDH1A1MAPTPOLBUSP2
SCHEMBL31396762 0.75 POLB (0.71) HPGDALDH1A1MAPTPOLBUSP2
SCHEMBL28851995 0.75 POLB (0.71) HPGDALDH1A1MAPTPOLBUSP2
SCHEMBL10212616 0.75 TDP1 (0.72) HPGDALDH1A1MAPTPOLBUSP2
SCHEMBL14520778 0.74 ALDH1A1 (0.63) HPGDALDH1A1MAPTPOLBTDP1
SCHEMBL25767696 0.74 TDP1 (0.70) HPGDALDH1A1MAPTPOLBUSP2
SCHEMBL11089749 0.73 HPGD (0.68) HPGDALDH1A1MAPTPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 HPGD 1663/4885ALDH1A1 927/4885MAPT 677/4885
US-20100310482-A1 3-Deoxyglucosone And Skin DPM1, G6PD, UGGT1 HPGD 854/4885ALDH1A1 383/4885MAPT 3453/4885
US-20080292568-A1 3-Deoxyglucosone and skin DPM1, G6PD, UGGT1 HPGD 854/4885ALDH1A1 383/4885MAPT 3453/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 HPGD 854/4885ALDH1A1 383/4885MAPT 3453/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE HPGD 127/4885ALDH1A1 357/4885MAPT 2715/4885

“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.