SCHEMBL13288515

SCHEMBL13288515

O=C(CCCCC[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1)NO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 16/20 0.63
▸ HDAC1 Q13547 11/20 0.57
▸ HDAC11 Q96DB2 10/20 0.57
▸ HDAC8 Q9BY41 10/20 0.57
▸ HDAC6 Q9UBN7 10/20 0.57
▸ HDAC3 O15379 9/20 0.57
▸ HDAC10 Q969S8 9/20 0.57
▸ NCOR2 Q9Y618 6/20 0.57
▸ HDAC4 P56524 5/20 0.52
▸ HDAC7 Q8WUI4 5/20 0.52
▸ HDAC9 Q9UKV0 5/20 0.52
▸ HDAC5 Q9UQL6 5/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ NCOR1 O75376 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ LTA4H P09960 1/20 0.51
▸ NR0B1 P51843 1/20 0.51

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
SCHEMBL13288521 0.93 HDAC2 (0.68) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL8271583 0.91 HDAC2 (0.68) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL8272312 0.91 HDAC2 (0.64) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL13288519 0.89 HDAC1 (0.64) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL13288500 0.88 HDAC2 (0.61) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL8271252 0.88 FPR2 (0.56) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL8270608 0.85 HDAC2 (0.58) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL13294815 0.85 HDAC2 (0.58) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL8270619 0.84 HDAC8 (0.57) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL8269734 0.84 HDAC2 (0.57) HDAC2HDAC1HDAC11HDAC8HDAC6

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 HDAC2 8/4885HDAC1 1/4885HDAC11 9/4885

“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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