SCHEMBL13288522

SCHEMBL13288522

O=C(CCCCC[C@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)Nc1ccccc1)NO

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.55
▸ HDAC2 Q92769 9/20 0.55
▸ HDAC3 O15379 5/20 0.55
▸ HDAC10 Q969S8 5/20 0.55
▸ HDAC11 Q96DB2 5/20 0.55
▸ HDAC8 Q9BY41 5/20 0.55
▸ HDAC6 Q9UBN7 5/20 0.55
▸ NCOR2 Q9Y618 5/20 0.55
▸ SLC1A3 P43003 1/20 0.48
▸ SLC1A2 P43004 1/20 0.48
▸ SLC1A1 P43005 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46

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
SCHEMBL27679617 0.93 NPC1 (0.52) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL8271583 0.86 HDAC2 (0.68) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL13288519 0.84 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL13288500 0.83 HDAC2 (0.61) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL14298774 0.81 HDAC2 (0.62) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL8269683 0.81 HDAC2 (0.57) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL8270619 0.81 HDAC8 (0.57) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL13288515 0.80 HDAC2 (0.63) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL8270608 0.80 HDAC2 (0.58) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL13294815 0.80 HDAC2 (0.58) HDAC1HDAC2HDAC3HDAC10HDAC11

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 1/4885HDAC2 8/4885HDAC3 11/4885

“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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