SCHEMBL6847182

SCHEMBL6847182

CC(O)CNCCC(=O)c1cnccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
LONP1 P36776 4/20 0.41
PSMB11 A5LHX3 3/20 0.41
PSMA7 O14818 3/20 0.41
PSMB1 P20618 3/20 0.41
PSMA1 P25786 3/20 0.41
PSMA2 P25787 3/20 0.41
PSMA3 P25788 3/20 0.41
PSMA4 P25789 3/20 0.41
PSMB8 P28062 3/20 0.41
PSMB9 P28065 3/20 0.41
PSMA5 P28066 3/20 0.41
PSMB4 P28070 3/20 0.41
PSMB6 P28072 3/20 0.41
PSMB5 P28074 3/20 0.41

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
SCHEMBL6847570 0.80 KDM4E (0.50) SMN1; SMN2KDM4ENAPRTHCAR2NPC1
SCHEMBL13517651 0.80 CTNNB1 (0.50) SMN1; SMN2KDM4EALDH1A1HTTMEN1
SCHEMBL6847640 0.77 KDM4E (0.47) SMN1; SMN2KDM4ENAPRTHCAR2TSHR
SCHEMBL13518195 0.75 LONP1 (0.40) SMN1; SMN2KDM4EALDH1A1MAPK1NAPRT
SCHEMBL9946197 0.73 KDM4E (0.53) SMN1; SMN2KDM4EALDH1A1NAPRTHCAR2
SCHEMBL8509785 0.73 KDM4E (0.53) SMN1; SMN2KDM4EALDH1A1MAPK1NAPRT
SCHEMBL13517810 0.72 KMT2A (0.56) SMN1; SMN2KDM4EALDH1A1NAPRTHCAR2
SCHEMBL13518593 0.71 LMNA (0.51) SMN1; SMN2KDM4EALDH1A1POLBLMNA
SCHEMBL13517842 0.70 KDM4E (0.39) SMN1; SMN2KDM4ENAPRTHCAR2NPC1
SCHEMBL6603504 0.70 KDM4E (0.53) SMN1; SMN2KDM4EALDH1A1NAPRTHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
WO-2011055561-A1 PROTEIN CROSSLINKING INHIBITOR AND USE THEREOF 独立行政法人科学技術振興機構 (JP) 2011-05-12 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 (1 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-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 SMN1; SMN2 3521/4885KDM4E 1192/4885ALDH1A1 2990/4885

“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.