SCHEMBL13023613

SCHEMBL13023613

CC(C)(O)C#Cc1cccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cc(NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NAMPT P43490 1/20 0.45
▸ KAT6A Q92794 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ KCNK9 Q9NPC2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 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
SCHEMBL13023726 0.98 L3MBTL1 (0.46) LMNAL3MBTL1NAMPTKAT6AMAPT
SCHEMBL13300058 0.92 RXFP1 (0.45) LMNAL3MBTL1NAMPTKAT6AMAPT
SCHEMBL13132849 0.87 SIRT1 (0.49) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL13066091 0.86 PTPN11 (0.50) NAMPTKAT6AMAPTHDAC3HDAC1
SCHEMBL13023542 0.85 HDAC3 (0.49) L3MBTL1NAMPTKAT6AHDAC3HDAC1
SCHEMBL13132819 0.85 L3MBTL1 (0.47) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL13065996 0.83 HDAC3 (0.49) L3MBTL1NAMPTKAT6AHDAC3HDAC1
SCHEMBL13132845 0.82 HDAC3 (0.47) LMNAL3MBTL1MAPTHDAC3HDAC1
SCHEMBL13132850 0.82 HDAC3 (0.47) LMNAL3MBTL1MAPTHDAC3HDAC1
SCHEMBL13066090 0.82 CYP17A1 (0.50) NAMPTKAT6AHDAC3HDAC1HDAC2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 — — 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 LMNA 413/4885L3MBTL1 1275/4885NAMPT 1787/4885

“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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