SCHEMBL6847142

SCHEMBL6847142

CCN(CCC(=O)c1cccnc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
TSHR P16473 1/20 0.52
PLOD2 O00469 1/20 0.51
HTT P42858 1/20 0.50
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
KMT2A Q03164 5/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GRM2 Q14416 2/20 0.45
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HDAC1 Q13547 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL16404282 0.89 GAA (0.49) GAATSHRPLOD2HTTKMT2A
SCHEMBL13562605 0.87 GAA (0.52) GAATSHRPLOD2HTTKMT2A
SCHEMBL13562639 0.85 BCHE (0.50) PLOD2BCHEACHEKMT2AKDM4E
SCHEMBL13562685 0.84 KMT2A (0.56) GAATSHRPLOD2HTTKMT2A
SCHEMBL13562457 0.81 GAA (0.51) GAATSHRPLOD2HTTKMT2A
SCHEMBL13562667 0.81 GAA (0.51) GAATSHRPLOD2HTTKMT2A
SCHEMBL13562535 0.81 ALDH1A1 (0.47) GAAHTTBCHEACHEKMT2A
SCHEMBL5321633 0.78 L3MBTL1 (0.62) GAABCHEACHEKMT2ALMNA
SCHEMBL25272309 0.78 GAA (0.53) GAATSHRPLOD2HTTACHE
SCHEMBL30488151 0.78 GAA (0.53) GAATSHRPLOD2HTTACHE

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 GAA 1538/4885TSHR 2871/4885PLOD2 759/4885

“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.