SCHEMBL6847952

SCHEMBL6847952

CC(C)N(CCC(=O)c1ccc(Br)s1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.49
GSK3B P49841 2/20 0.43
KMT2A Q03164 6/20 0.42
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MITF O75030 1/20 0.42
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
BLM P54132 1/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
DAO P14920 1/20 0.40
OPRK1 P41145 2/20 0.39
OPRM1 P35372 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL6847245 0.86 ACKR3 (0.49) ACKR3KMT2AMAPTMEN1ALDH1A1
SCHEMBL6847932 0.85 ACKR3 (0.48) ACKR3KMT2AMAPTMEN1ALDH1A1
SCHEMBL13562708 0.85 ACKR3 (0.48) ACKR3GSK3BKMT2AMAPTMEN1
SCHEMBL6847547 0.83 ACKR3 (0.65) ACKR3GSK3BKMT2AMAPTNPSR1
SCHEMBL6847468 0.83 GSK3B (0.53) ACKR3GSK3BKMT2AMAPTNPSR1
SCHEMBL13562613 0.82 ALDH1A1 (0.51) ACKR3KMT2AMEN1ALDH1A1HPGD
SCHEMBL13562746 0.82 GSK3B (0.47) ACKR3GSK3BKMT2AMAPTNPSR1
SCHEMBL6847641 0.81 ACKR3 (0.50) ACKR3GSK3BKMT2AMAPTNPSR1
SCHEMBL13562711 0.80 ACKR3 (0.49) ACKR3GSK3BKMT2AMAPTNPSR1
SCHEMBL6848042 0.79 ACKR3 (0.50) ACKR3GSK3BKMT2AMAPTNPSR1

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 4329/4885GSK3B 2593/4885KMT2A 2055/4885

“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.