SCHEMBL6847513

SCHEMBL6847513

O=C(CCNC(CO)Cc1ccccc1)c1ccc(Br)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GSK3B P49841 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
MITF O75030 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
BLM P54132 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
ACKR3 P25106 1/20 0.41
PIN1 Q13526 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
DAO P14920 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL13517465 0.83 ALDH1A1 (0.45) KMT2AMAPTMEN1GAALMNA
SCHEMBL6847892 0.80 GSK3B (0.47) KMT2AMAPTMEN1GAALMNA
SCHEMBL13518175 0.78 GSK3B (0.44) KMT2AMAPTMEN1GAALMNA
SCHEMBL13519281 0.77 CYP3A4 (0.46) GSK3BSIGMAR1CYP3A4MAPK1PIN1
SCHEMBL6847689 0.77 GSK3B (0.49) KMT2AMAPTMEN1GAALMNA
SCHEMBL6847853 0.77 GSK3B (0.51) KMT2AMAPTMEN1GAALMNA
SCHEMBL6847082 0.76 KMT2A (0.55) KMT2AMAPTMEN1GAALMNA
SCHEMBL6848126 0.74 GSK3B (0.56) KMT2AMAPTMEN1GAAGSK3B
SCHEMBL13518266 0.74 GSK3B (0.46) KMT2AMAPTMEN1GAALMNA
SCHEMBL6848101 0.74 GSK3B (0.46) KMT2AMAPTMEN1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US claimed
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 KMT2A 2055/4885MAPT 2501/4885MEN1 1889/4885

“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.