SCHEMBL8226957

SCHEMBL8226957

O=C(CCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 1.00
▸ HDAC2 Q92769 14/20 1.00
▸ HDAC6 Q9UBN7 13/20 1.00
▸ HDAC8 Q9BY41 11/20 1.00
▸ HDAC3 O15379 11/20 1.00
▸ HDAC11 Q96DB2 10/20 1.00
▸ HDAC4 P56524 9/20 1.00
▸ HDAC7 Q8WUI4 9/20 1.00
▸ HDAC9 Q9UKV0 9/20 1.00
▸ HDAC5 Q9UQL6 9/20 1.00
▸ HDAC10 Q969S8 9/20 1.00
▸ NCOR2 Q9Y618 2/20 0.81
▸ KDM4E B2RXH2 1/20 0.81
▸ BRD4 O60885 1/20 0.81
▸ NCOR1 O75376 1/20 0.81
▸ NR1I2 O75469 1/20 0.81
▸ EGFR P00533 1/20 0.81
▸ CYP3A4 P08684 1/20 0.81
▸ LTA4H P09960 1/20 0.81
▸ NR0B1 P51843 1/20 0.81

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
Vorinostat SCHEMBL9018 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL23055010 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL19754407 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL8261596 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL23055007 0.88 HDAC1 (0.96) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL31635263 0.88 HDAC1 (0.83) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL30535798 0.87 HDAC6 (0.87) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL6386310 0.86 HDAC6 (1.00) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL8587363 0.86 HDAC1 (0.75) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL11694913 0.86 HDAC8 (0.75) HDAC1HDAC2HDAC6HDAC8HDAC3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 — — US disclosed
US-8653278-B2 Isoform selective HDAC inhibitors GEORGETOWN UNIVERSITY (US) 2014-02-18 — — US disclosed
US-8653278-B2 Isoform selective HDAC inhibitors GEORGETOWN UNIVERSITY (US) 2014-02-18 — — US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 — — US disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 — — US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 — — US disclosed
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-05-05 — — US disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 — — US disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 — — US disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 — — US disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 — — US disclosed
US-20100196502-A1 Isoform Selective HDAC Inhibitors GEORGETOWN UNIVERSITY (US) 2010-08-05 — — US disclosed
US-20100196502-A1 Isoform Selective HDAC Inhibitors GEORGETOWN UNIVERSITY (US) 2010-08-05 — — US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 — — US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 — — US disclosed
US-7569724-B2 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-08-04 — — US disclosed
US-7569724-B2 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-08-04 — — US disclosed
EP-2083005-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2009-07-29 — — EP disclosed
WO-2008019025-A2 ISOFORM-SELECTIVE HDAC INHIBITORS GEORGETOWN UNIVERSITY (US) 2008-02-14 — — WO 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 (7 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 HDAC1 1/4885HDAC2 4/4885HDAC6 11/4885
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 HDAC1 1/4885HDAC2 10/4885HDAC6 11/4885
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 HDAC1 1/4885HDAC2 6/4885HDAC6 22/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC2 8/4885HDAC6 11/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC1 5/4885HDAC2 31/4885HDAC6 557/4885
US-20100196502-A1 Isoform Selective HDAC Inhibitors HDAC5, HDAC6, HDAC3 HDAC1 4/4885HDAC2 8/4885HDAC6 2/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 HDAC1 9/4885HDAC2 51/4885HDAC6 1058/4885

“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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