SCHEMBL2947032

SCHEMBL2947032

N=C(NN)NN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.36
EPHX2 P34913 1/20 0.35
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LIPE Q05469 1/20 0.33

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
SCHEMBL1740163 0.79 CA12 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL8854979 0.78 CYP2D6 (0.51) ALDH1A1LMNASMN1; SMN2CYP2D6KMT2A
Hydrochloric Acid SCHEMBL19371425 0.78 CA12 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL4981455 0.77 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL28618348 0.77 CA12 (0.45) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL27505323 0.76 CA12 (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL20997441 0.73 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL10492668 0.71 CA12 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL11763036 0.70 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL2955959 0.69 CA12 (0.42) CA12CA1CA2CA9ALDH1A1

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 24 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-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20080292568-A1 3-Deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2008-11-27 US disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 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-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO disclosed
US-5612332-A INHIBITING PROTEIN GLYCOSYLATION ALTEON INC. (US) 1997-03-18 US disclosed
WO-1996040663-A1 DI- AND TRI-AMINOGUANIDINES AND THEIR USE TO INHIBIT THE ADVANCED GLYCOSYLATION OF PROTEINS ALTEON INC. (US) 1996-12-19 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 (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 CA12 2753/4885CA1 1894/4885CA2 1243/4885
US-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 CA12 4804/4885CA1 4677/4885CA2 4738/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CA12 3781/4885CA1 2382/4885CA2 1573/4885
US-20100310482-A1 3-Deoxyglucosone And Skin DPM1, G6PD, UGGT1 CA12 2292/4885CA1 4084/4885CA2 1727/4885
US-20080292568-A1 3-Deoxyglucosone and skin DPM1, G6PD, UGGT1 CA12 2292/4885CA1 4084/4885CA2 1727/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 CA12 2292/4885CA1 4084/4885CA2 1727/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE CA12 4810/4885CA1 4767/4885CA2 2183/4885

“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.