SCHEMBL4233713

SCHEMBL4233713

O=C(/C=C/c1ccc(Nc2ccccc2NC(=O)C2CCCCC2)cc1)NOC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.45
▸ HDAC3 O15379 3/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CETP P11597 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RXFP1 Q9HBX9 3/20 0.39
▸ HPGD P15428 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36

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
SCHEMBL4233716 1.00 SIRT2 (0.45) SIRT2HDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL4232075 0.83 CCNA2 (0.39) HDAC3HDAC1HDAC2SMN1; SMN2CETP
SCHEMBL4232071 0.83 CCNA2 (0.39) HDAC3HDAC1HDAC2SMN1; SMN2CETP
Hydrochloric Acid SCHEMBL4223946 0.81 SIRT2 (0.52) SIRT2HDAC3HDAC1HDAC2SMN1; SMN2
Hydrochloric Acid SCHEMBL4223940 0.81 SIRT2 (0.52) SIRT2HDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL4258903 0.80 MGLL (0.46) HDAC3HDAC1HDAC2SMN1; SMN2MAPT
SCHEMBL4258906 0.80 MGLL (0.46) HDAC3HDAC1HDAC2SMN1; SMN2MAPT
SCHEMBL4227347 0.79 SIRT2 (0.54) SIRT2HDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL4867871 0.79 SIRT2 (0.54) SIRT2HDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL1579761 0.77 MGLL (0.43) HDAC3HDAC1HDAC2SMN1; SMN2KDM4E

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 4 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
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 — — 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 (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 129/4885HDAC3 4/4885HDAC1 1/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 SIRT2 118/4885HDAC3 4/4885HDAC1 1/4885

“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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