SCHEMBL4513644

SCHEMBL4513644

O=C(CCCCCNC(=O)/C(=C\c1ccc(C=S)cc1)c1ccc(F)cc1)NOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HDAC3 O15379 3/20 0.43
NCOR2 Q9Y618 1/20 0.43
HDAC1 Q13547 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL12094939 1.00 MEN1 (0.47) MEN1KMT2AHDAC3NCOR2HDAC1
SCHEMBL12340683 0.89 MEN1 (0.45) MEN1KMT2AHDAC3NCOR2LMNA
SCHEMBL6864687 0.89 MEN1 (0.45) MEN1KMT2AHDAC3NCOR2LMNA
SCHEMBL12094878 0.85 MEN1 (0.45) MEN1KMT2AHDAC3NCOR2HDAC1
SCHEMBL12094867 0.85 MEN1 (0.45) MEN1KMT2AHDAC3NCOR2HDAC1
SCHEMBL12094868 0.76 MEN1 (0.46) MEN1KMT2AHDAC3NCOR2LMNA
SCHEMBL12095114 0.76 MEN1 (0.46) MEN1KMT2AHDAC3NCOR2LMNA
SCHEMBL12317390 0.74 SMN1; SMN2 (0.45) ALDH1A1HDAC6
SCHEMBL3233893 0.73 HDAC3 (0.62) MEN1KMT2AHDAC3NCOR2HDAC1
SCHEMBL3238191 0.73 HDAC3 (0.62) MEN1KMT2AHDAC3NCOR2HDAC1

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-8263044-B2 Stilbene like compounds as novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2012-09-11 US claimed
US-20090136431-A1 Stilbene Like Compounds as Novel HDAC Inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-05-28 US claimed
US-8263044-B2 Stilbene like compounds as novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2012-09-11 US disclosed
US-20090136431-A1 Stilbene Like Compounds as Novel HDAC Inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-05-28 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-20090136431-A1 Stilbene Like Compounds as Novel HDAC Inhibitors HDAC1, HDAC5, HDAC11 MEN1 3883/4885KMT2A 265/4885HDAC3 10/4885

“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.