SCHEMBL6847010

SCHEMBL6847010

O=C(CCNCC(O)c1ccccc1)c1ccc(Br)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GSK3B P49841 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
BCAT2 O15382 1/20 0.41
ADRB2 P07550 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
DAO P14920 1/20 0.41
ADRB3 P13945 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL13518087 0.84 GSK3B (0.54) KDM4EL3MBTL1GSK3BNPC1RAB9A
SCHEMBL13518175 0.82 GSK3B (0.44) KDM4EL3MBTL1GSK3BSMN1; SMN2ALDH1A1
SCHEMBL6847689 0.82 GSK3B (0.49) KDM4EGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL6847566 0.81 GSK3B (0.51) KDM4EL3MBTL1GSK3BNPC1RAB9A
SCHEMBL6847605 0.79 GSK3B (0.49) KDM4EL3MBTL1GSK3BNPC1RAB9A
SCHEMBL6847853 0.79 GSK3B (0.51) KDM4EL3MBTL1GSK3BSMN1; SMN2ALDH1A1
SCHEMBL6848101 0.79 GSK3B (0.46) KDM4EGSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL11366820 0.78 KDM4E (0.59) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6847082 0.77 KMT2A (0.55) GSK3BNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6847892 0.77 GSK3B (0.47) KDM4EGSK3BRAB9ASMN1; SMN2ALDH1A1

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 6 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
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 KDM4E 1192/4885L3MBTL1 1521/4885GSK3B 2593/4885

“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.