SCHEMBL5998068

SCHEMBL5998068

O=C(CS)NCCCCCC(=O)NCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ HDAC1 Q13547 7/20 0.68
▸ HDAC8 Q9BY41 7/20 0.68
▸ HDAC6 Q9UBN7 6/20 0.68
▸ HDAC3 O15379 6/20 0.68
▸ HDAC2 Q92769 6/20 0.68
▸ HDAC10 Q969S8 5/20 0.68
▸ HDAC11 Q96DB2 5/20 0.68
▸ HDAC4 P56524 4/20 0.68
▸ HDAC7 Q8WUI4 4/20 0.68
▸ HDAC9 Q9UKV0 4/20 0.68
▸ HDAC5 Q9UQL6 4/20 0.68
▸ GAA P10253 1/20 0.66
▸ EPHX2 P34913 2/20 0.64
▸ FAAH O00519 1/20 0.56
▸ NCOR2 Q9Y618 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ TRPV1 Q8NER1 2/20 0.54

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
SCHEMBL5999693 0.88 HDAC3 (0.71) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1366507 0.87 HDAC1 (0.67) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL27350259 0.84 MEN1 (0.83) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL2942358 0.84 MEN1 (0.96) MEN1KMT2AGAAEPHX2FAAH
SCHEMBL1185619 0.84 GAA (0.66) MEN1KMT2AGAAEPHX2LMNA
SCHEMBL19334536 0.82 MEN1 (0.78) MEN1KMT2AHDAC1HDAC8HDAC3
SCHEMBL15800860 0.81 TRPV1 (0.73) KMT2AHDAC1HDAC8HDAC6HDAC3
SCHEMBL14254953 0.81 MEN1 (0.89) MEN1KMT2AGAAEPHX2FAAH
SCHEMBL27909119 0.81 MEN1 (0.89) MEN1KMT2AGAAEPHX2FAAH
SCHEMBL5998899 0.81 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC2

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
WO-2006028972-A2 MERCAPTOAMIDES AS HISTONE DEACETYLASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-03-16 — — WO disclosed
US-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors AHMED SALEH 2006-03-02 — — 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-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors HDAC1, HDAC11, HDAC2 MEN1 1917/4885KMT2A 23/4885HDAC1 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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