SCHEMBL13429151

SCHEMBL13429151

O=C(/C=C/c1cnc(NCC(=O)NCc2ccc(F)cc2)c(Cl)c1)NO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.46
HDAC8 Q9BY41 8/20 0.46
HDAC3 O15379 7/20 0.46
HDAC1 Q13547 10/20 0.45
HDAC4 P56524 8/20 0.45
HDAC7 Q8WUI4 6/20 0.45
HDAC2 Q92769 6/20 0.45
HDAC10 Q969S8 6/20 0.45
HDAC11 Q96DB2 6/20 0.45
HDAC9 Q9UKV0 6/20 0.45
HDAC5 Q9UQL6 6/20 0.45
MEF2D Q14814 2/20 0.45
JAK2 O60674 1/20 0.45
GSK3B P49841 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 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
SCHEMBL13429156 0.90 HDAC1 (0.52) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL13428572 0.90 AKR1C3 (0.44) GSK3BKDM4EHPGD
SCHEMBL8190109 0.88 HDAC6 (0.46) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL13428475 0.85 CA12 (0.44) HPGD
SCHEMBL13429148 0.82 HDAC6 (0.46) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL13428521 0.80 KDM4E (0.37) HDAC1GSK3BKDM4EHPGD
SCHEMBL13428583 0.80 AKR1C3 (0.46) HDAC6HDAC1KDM4EHPGD
SCHEMBL13428471 0.80 CA12 (0.45) HPGD
SCHEMBL8187060 0.78 HDAC1 (0.52) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL13429138 0.78 KMT2A (0.48) HDAC6HDAC8HDAC3HDAC1HDAC4

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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC6 29/4885HDAC8 7/4885HDAC3 4/4885

“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.