SCHEMBL2953468

SCHEMBL2953468

N=C(N)NC(=N)N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
ALDH1A1 P00352 5/20 0.33
TSHR P16473 1/20 0.32
CA2 P00918 4/20 0.32
CHKA P35790 1/20 0.32
CA1 P00915 3/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
MGLL Q99685 2/20 0.31
PIN1 Q13526 1/20 0.31
PHGDH O43175 1/20 0.31
ALDH2 P05091 1/20 0.31
FBP1 P09467 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL12096425 1.00 F2 (0.54) F2ALDH1A1TSHRCA2CHKA
SCHEMBL45010 1.00 F2 (0.54) F2ALDH1A1TSHRCA2CHKA
Hydrochloric Acid SCHEMBL29808003 0.98 F2 (0.52) F2ALDH1A1TSHRCA2CHKA
Hydrochloric Acid SCHEMBL8515090 0.98 F2 (0.52) F2ALDH1A1TSHRCA2CHKA
Hydrochloric Acid SCHEMBL368028 0.98 F2 (0.52) F2ALDH1A1TSHRCA2CHKA
Bromide SCHEMBL7249927 0.98 F2 (0.52) F2ALDH1A1TSHRCA2CHKA
SCHEMBL2950074 0.98 F2 (0.50) F2ALDH1A1HPGD
Boric Acid SCHEMBL17417184 0.94 F2 (0.48) F2ALDH1A1
Sulfuric Acid SCHEMBL2816753 0.90 F2 (0.45) F2ALDH1A1TSHRCA2CHKA
Phosphoric Acid SCHEMBL17022775 0.90 F2 (0.45) F2ALDH1A1TSHRCA2CHKA

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 58 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
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-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-11572341-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2023-02-07 US disclosed
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 US disclosed
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. 2020-09-03 US disclosed
EP-2800561-B1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMA US LLC (US) 2020-08-19 EP disclosed
WO-2003089601-A2 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS, INC. (US) 2003-10-30 WO disclosed
EP-1175155-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2002-01-30 EP disclosed
WO-2000062626-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2000-10-26 WO disclosed
US-5254593-A Compositions containing biguanides and derivatives thereof as inhibitors of nonenzymatic cross-linking THE ROCKEFELLER UNIVERSITY (US) 1993-10-19 US disclosed
WO-1992007560-A1 BIGUANIDES AND DERIVATIVES THEREOF AS INHIBITORS OF ADVANCED GLYCOSYLATION OF A TARGET PROTEIN THE ROCKEFELLER UNIVERSITY (US) 1992-05-14 WO disclosed
US-5100919-A Aging resistance; food preservatives THE ROCKEFELLER UNIVERSITY (US) 1992-03-31 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 (7 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 F2 604/4885ALDH1A1 927/4885TSHR 4155/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 F2 4312/4885ALDH1A1 980/4885TSHR 2290/4885
US-11572341-B2 Biguanide compound and use thereof MKI67, GCG, GCKR F2 4873/4885ALDH1A1 1098/4885TSHR 2521/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 F2 4312/4885ALDH1A1 980/4885TSHR 2290/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 F2 4474/4885ALDH1A1 383/4885TSHR 4805/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE F2 2780/4885ALDH1A1 357/4885TSHR 4627/4885
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF MKI67, GCG, GCKR F2 4873/4885ALDH1A1 1098/4885TSHR 2521/4885

“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.