SCHEMBL6847015

SCHEMBL6847015

Cc1csc(C(=O)CCN(CCO)Cc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ACHE P22303 2/20 0.41
HTT P42858 1/20 0.41
DAO P14920 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ACKR3 P25106 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 1/20 0.38
APP P05067 1/20 0.37
MAPT P10636 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL6847840 0.92 HDAC4 (0.46) HDAC4HDAC6ACHEHTTDAO
SCHEMBL6847929 0.81 ACKR3 (0.45) HDAC4HDAC6HTTDAOALDH1A1
SCHEMBL6847616 0.81 OPRM1 (0.41) HDAC4HDAC6HTTDAOALDH1A1
SCHEMBL13562680 0.80 ALDH1A1 (0.53) HTTALDH1A1LMNATSHRHSD17B10
SCHEMBL3865201 0.77 DAO (0.51) DAOALDH1A1MAPT
SCHEMBL6848042 0.75 ACKR3 (0.50) HTTDAOALDH1A1LMNAMEN1
SCHEMBL13562710 0.75 GSK3B (0.44) ACHEHTTDAOALDH1A1LMNA
SCHEMBL6847756 0.75 ACKR3 (0.43) HDAC4HDAC6ACHEHTTALDH1A1
SCHEMBL7085790 0.74 DAO (0.55) DAOLMNAMEN1KMT2AMAPT
SCHEMBL13562661 0.74 ALDH1A1 (0.43) HDAC4HDAC6ACHEHTTALDH1A1

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 HDAC4 1956/4885HDAC6 1030/4885ACHE 2107/4885

“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.