Sugi Predict

Sugi Predict / Compounds / SCHEMBL6848101

SCHEMBL6848101

SCHEMBL6848101

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ DAO P14920 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ SLC6A3 Q01959 1/20 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
SCHEMBL13518266 0.88 GSK3B (0.46) GSK3BNPSR1GAARXFP1DAO
SCHEMBL6847689 0.86 GSK3B (0.49) GSK3BNPSR1GAARXFP1DAO
SCHEMBL6847892 0.81 GSK3B (0.47) GSK3BNPSR1GAARXFP1DAO
SCHEMBL13518658 0.80 GSK3B (0.46) GSK3BNPSR1GAARXFP1DAO
SCHEMBL13517465 0.79 ALDH1A1 (0.45) GSK3BNPSR1GAARXFP1DAO
SCHEMBL6847010 0.79 KDM4E (0.47) GSK3BNPSR1GAARXFP1DAO
SCHEMBL6848126 0.76 GSK3B (0.56) GSK3BNPSR1GAARXFP1DAO
SCHEMBL13517361 0.75 GSK3B (0.49) GSK3BNPSR1GAARXFP1DAO
SCHEMBL6847513 0.74 KMT2A (0.45) GSK3BNPSR1GAARXFP1DAO
SCHEMBL13517706 0.73 AOC3 (0.36) HTR1AADRA2ADRD1SLC6A2SLC6A4

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 GSK3B 2593/4885NPSR1 4686/4885GAA 1538/4885

“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.