SCHEMBL13518641

SCHEMBL13518641

C=CC(=O)c1ccccc1Sc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.61
▸ AKT1 P31749 1/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ SLC6A9 P48067 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NSD2 O96028 2/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL29165406 0.89 AKT1 (0.48) SIRT1AKT1SMN1; SMN2LMNATDP1
SCHEMBL231042 0.79 SIRT1 (0.71) SIRT1L3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL8959187 0.79 SIRT1 (0.71) SIRT1L3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL18813000 0.76 SIRT1 (0.62) SIRT1L3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL10347642 0.76 AKT1 (0.61) AKT1SMN1; SMN2LMNATDP1MAPT
SCHEMBL3075574 0.76 SIRT1 (0.67) SIRT1L3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL11476180 0.76 SIRT1 (0.67) SIRT1L3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL2417850 0.76 SIRT1 (0.67) SIRT1L3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL1030659 0.76 SIRT1 (1.00) SIRT1L3MBTL1SMN1; SMN2LMNATDP1
SCHEMBL5887723 0.75 SIRT1 (0.61) SIRT1L3MBTL1LMNATDP1MAPT

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 2 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-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 — — US 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 SIRT1 1142/4885AKT1 1984/4885L3MBTL1 1521/4885

“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.

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