SCHEMBL6847641

SCHEMBL6847641

CCN(CCC(=O)c1ccc(Br)s1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.50
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GSK3B P49841 2/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MITF O75030 1/20 0.43
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
BLM P54132 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAOB P27338 1/20 0.41
APP P05067 1/20 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
SCHEMBL6847468 0.92 GSK3B (0.53) ACKR3NPSR1MAPTKMT2AMEN1
SCHEMBL6847750 0.89 ACKR3 (0.52) ACKR3NPSR1MAPTKMT2AMEN1
SCHEMBL6848042 0.87 ACKR3 (0.50) ACKR3NPSR1MAPTKMT2AMEN1
SCHEMBL6847657 0.86 ACKR3 (0.48) ACKR3MAPTKMT2AMEN1BCHE
SCHEMBL6847704 0.85 ACKR3 (0.47) ACKR3MAPTKMT2AMEN1GSK3B
SCHEMBL6847547 0.84 ACKR3 (0.65) ACKR3NPSR1MAPTKMT2AMEN1
SCHEMBL13517867 0.82 GSK3B (0.54) NPSR1MAPTKMT2AMEN1GSK3B
SCHEMBL13562691 0.82 ALDH1A1 (0.53) MAPTKMT2AMEN1BCHEACHE
SCHEMBL13562748 0.81 GSK3B (0.53) ACKR3NPSR1MAPTKMT2AMEN1
SCHEMBL13562711 0.81 ACKR3 (0.49) ACKR3NPSR1MAPTKMT2AMEN1

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 5 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
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 ACKR3 4329/4885NPSR1 4686/4885MAPT 2501/4885

“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.