SCHEMBL13288534

SCHEMBL13288534

O=C(CCCCC[C@H](NC(=O)NCCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1)NO

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 0.63
▸ HDAC6 Q9UBN7 15/20 0.63
▸ HDAC2 Q92769 14/20 0.63
▸ HDAC3 O15379 13/20 0.63
▸ HDAC4 P56524 13/20 0.63
▸ HDAC10 Q969S8 13/20 0.63
▸ HDAC8 Q9BY41 13/20 0.63
▸ HDAC7 Q8WUI4 12/20 0.63
▸ HDAC11 Q96DB2 12/20 0.63
▸ HDAC9 Q9UKV0 12/20 0.63
▸ HDAC5 Q9UQL6 12/20 0.63
▸ ROCK2 O75116 1/20 0.57
▸ ROCK1 Q13464 1/20 0.57
▸ EP300 Q09472 1/20 0.50
▸ MEF2D Q14814 1/20 0.50

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
SCHEMBL8272316 0.96 HDAC1 (0.62) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL13288533 0.91 HDAC1 (0.65) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL13288530 0.86 HDAC1 (0.69) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL3502203 0.84 HDAC1 (0.71) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL3502200 0.84 HDAC1 (0.71) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL13288496 0.83 HDAC2 (0.59) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL13864833 0.81 HDAC6 (0.72) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL13288525 0.81 HDAC2 (0.56) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL3504524 0.80 HDAC1 (0.64) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL3504520 0.80 HDAC1 (0.64) HDAC1HDAC6HDAC2HDAC3HDAC4

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-7737184-B2 Histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 — — US disclosed
US-7737184-B2 Histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 — — US disclosed
US-20080033015-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-02-07 — — US disclosed
US-20080033015-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-02-07 — — 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-20080033015-A1 Histone Deacetylase Inhibitors HDAC1, HDAC5, HDAC9 HDAC1 1/4885HDAC6 7/4885HDAC2 8/4885

“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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