SCHEMBL4227347

SCHEMBL4227347

O=C(O)C=Cc1ccc(Nc2ccccc2NC(=O)C2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ HPGD P15428 3/20 0.51
▸ HDAC3 O15379 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ CETP P11597 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 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
SCHEMBL4867871 1.00 SIRT2 (0.54) SIRT2KDM4EMAPTHPGDHDAC3
Hydrochloric Acid SCHEMBL4223940 0.88 SIRT2 (0.52) SIRT2KDM4EMAPTHPGDHDAC3
Hydrochloric Acid SCHEMBL4223946 0.88 SIRT2 (0.52) SIRT2KDM4EMAPTHPGDHDAC3
SCHEMBL8020697 0.85 HPGD (0.71) SIRT2KDM4EMAPTHPGDHDAC3
SCHEMBL4233716 0.79 SIRT2 (0.45) SIRT2KDM4EMAPTHPGDHDAC3
SCHEMBL4233713 0.79 SIRT2 (0.45) SIRT2KDM4EMAPTHPGDHDAC3
SCHEMBL4231057 0.78 GRM4 (0.44) KDM4EHPGDHDAC3HDAC1HDAC2
SCHEMBL4231050 0.78 GRM4 (0.44) KDM4EHPGDHDAC3HDAC1HDAC2
SCHEMBL12323604 0.77 CETP (0.77) SIRT2KDM4EHPGDHDAC3HDAC1
SCHEMBL28258088 0.77 CETP (0.77) SIRT2KDM4EHPGDHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 — — US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 — — US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 — — US disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 — — EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 — — US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 — — 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 (2 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 SIRT2 129/4885KDM4E 200/4885MAPT 3433/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 SIRT2 118/4885KDM4E 195/4885MAPT 3316/4885

“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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