SCHEMBL2952902

SCHEMBL2952902

Nc1ccc(C(=O)NN2CCCC2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP2D6 P10635 3/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9064272 0.98 HTT (0.58) HTTHDAC8HDAC6CYP2D6KDM4E
SCHEMBL2955197 0.98 HTT (0.58) HTTHDAC8HDAC6CYP2D6KDM4E
Hydrochloric Acid SCHEMBL2954104 0.97 HTT (0.57) HTTHDAC8HDAC6CYP2D6KDM4E
Hydrochloric Acid SCHEMBL2954100 0.97 HTT (0.57) HTTHDAC8HDAC6CYP2D6KDM4E
SCHEMBL5924407 0.87 HTT (0.53) HTTHDAC8HDAC6CYP2D6SMN1; SMN2
SCHEMBL2957401 0.86 CYP2D6 (0.61) HDAC8HDAC6CYP2D6KDM4EGAA
SCHEMBL5924536 0.86 HTT (0.55) HTTHDAC8HDAC6CYP2D6KDM4E
SCHEMBL9158917 0.86 HTT (0.55) HTTHDAC8HDAC6CYP2D6KDM4E
SCHEMBL13175564 0.82 KMT2A (0.49) HTTKDM4ESMN1; SMN2GAAPOLB
SCHEMBL13575472 0.81 HTT (0.50) HTTKDM4ESMN1; SMN2GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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
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-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 HTT 2775/4885HDAC8 3072/4885HDAC6 3324/4885
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 HTT 4464/4885HDAC8 2297/4885HDAC6 3697/4885
US-20100310482-A1 3-Deoxyglucosone And Skin DPM1, G6PD, UGGT1 HTT 2528/4885HDAC8 2398/4885HDAC6 2660/4885
US-20080292568-A1 3-Deoxyglucosone and skin DPM1, G6PD, UGGT1 HTT 2528/4885HDAC8 2398/4885HDAC6 2660/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 HTT 2528/4885HDAC8 2398/4885HDAC6 2660/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE HTT 3450/4885HDAC8 2764/4885HDAC6 2905/4885

“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.