SCHEMBL5524723

SCHEMBL5524723

Nc1ccc(C(=O)NCc2ccco2)cc1N

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.67
MAPT P10636 3/20 0.67
TSHR P16473 2/20 0.67
NPC1 O15118 1/20 0.67
TP53 P04637 1/20 0.67
RAB9A P51151 1/20 0.67
TDP1 Q9NUW8 1/20 0.63
POLB P06746 3/20 0.63
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.61
PKM P14618 1/20 0.61
HSD17B10 Q99714 1/20 0.61
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60
MLYCD O95822 1/20 0.59
ATM Q13315 1/20 0.58

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
SCHEMBL2954477 0.90 HPGD (0.57) HPGDMAPTTSHRNPC1TP53
SCHEMBL14452241 0.84 L3MBTL1 (0.71) HPGDMAPTTSHRNPC1TP53
SCHEMBL13212973 0.84 TDP1 (0.73) HPGDMAPTTSHRNPC1TP53
SCHEMBL28851995 0.83 POLB (0.71) HPGDMAPTTSHRNPC1TP53
SCHEMBL31396762 0.83 POLB (0.71) HPGDMAPTTSHRNPC1TP53
SCHEMBL14520778 0.82 ALDH1A1 (0.63) HPGDMAPTTSHRNPC1TP53
SCHEMBL11089749 0.81 HPGD (0.68) HPGDMAPTTSHRNPC1TP53
SCHEMBL29286759 0.80 HPGD (1.00) HPGDMAPTTSHRNPC1TP53
SCHEMBL4491643 0.79 TDP1 (0.75) HPGDMAPTTSHRNPC1TP53
SCHEMBL1490952 0.79 HPGD (0.76) HPGDMAPTTSHRNPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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 (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 HPGD 1663/4885MAPT 677/4885TSHR 4155/4885
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 HPGD 20/4885MAPT 4399/4885TSHR 4770/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 HPGD 854/4885MAPT 3453/4885TSHR 4805/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE HPGD 127/4885MAPT 2715/4885TSHR 4627/4885

“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.