SCHEMBL6847599

SCHEMBL6847599

O=C(CCNCCN(CCO)CCC(=O)c1ccc(Br)s1)c1ccc(Br)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
NPSR1 Q6W5P4 4/20 0.40
RXFP1 Q9HBX9 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ESR1 P03372 2/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ACKR3 P25106 1/20 0.37
DAO P14920 1/20 0.37
MELK Q14680 1/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.32

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
SCHEMBL13562747 0.89 GSK3B (0.59) GSK3BNPSR1RXFP1GAAKDM4E
SCHEMBL13562749 0.84 GSK3B (0.53) GSK3BNPSR1RXFP1GAAKDM4E
SCHEMBL6847678 0.83 GSK3B (0.57) GSK3BNPSR1RXFP1GAAKDM4E
SCHEMBL13563343 0.83 GSK3B (0.43) GSK3BNPSR1RXFP1GAAKDM4E
SCHEMBL13518298 0.82 GSK3B (0.56) GSK3BNPSR1RXFP1GAAKDM4E
SCHEMBL13562748 0.81 GSK3B (0.53) GSK3BNPSR1RXFP1GAAKDM4E
SCHEMBL6847764 0.81 GSK3B (0.54) GSK3BNPSR1RXFP1GAAKDM4E
SCHEMBL13562728 0.81 GSK3B (0.49) GSK3BNPSR1RXFP1GAAKDM4E
SCHEMBL13518109 0.78 GSK3B (0.57) GSK3BNPSR1RXFP1GAAKDM4E
SCHEMBL6848042 0.77 ACKR3 (0.50) GSK3BNPSR1ACKR3DAOKMT2A

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 4 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-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 GSK3B 2593/4885NPSR1 4686/4885RXFP1 2228/4885

“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.