SCHEMBL13066091

SCHEMBL13066091

CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)cc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.50
▸ KAT6A Q92794 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ IKBKB O14920 1/20 0.45
▸ KCNK9 Q9NPC2 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ PDGFRB P09619 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ PRMT5 O14744 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ KCNK3 O14649 1/20 0.43
▸ NPC1 O15118 2/20 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
SCHEMBL13066090 0.95 CYP17A1 (0.50) PTPN11KAT6AMEN1KMT2ANAMPT
SCHEMBL13023726 0.89 L3MBTL1 (0.46) KAT6AMEN1KMT2ANAMPTRAB9A
SCHEMBL13065996 0.87 HDAC3 (0.49) KAT6AMEN1KMT2ANAMPTRAB9A
SCHEMBL13023613 0.86 LMNA (0.46) KAT6AMEN1KMT2ANAMPTRXFP1
SCHEMBL13023542 0.85 HDAC3 (0.49) KAT6AMEN1KMT2ANAMPTRAB9A
SCHEMBL13300058 0.83 RXFP1 (0.45) KAT6AMEN1KMT2ANAMPTRXFP1
SCHEMBL31396764 0.82 KMT2A (0.59) KAT6AMEN1KMT2ANAMPTRAB9A
SCHEMBL13350005 0.82 NAMPT (0.56) PTPN11KAT6AMEN1KMT2ANAMPT
SCHEMBL22669530 0.80 HDAC3 (0.46) PTPN11KAT6ANAMPTRXFP1HDAC3
SCHEMBL29467525 0.80 HDAC3 (0.46) PTPN11KAT6ANAMPTRXFP1HDAC3

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 PTPN11 4656/4885KAT6A 164/4885MEN1 379/4885

“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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