SCHEMBL12395351

SCHEMBL12395351

CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 18/20 0.71
▸ HDAC4 P56524 14/20 0.71
▸ HDAC3 O15379 13/20 0.71
▸ HDAC2 Q92769 13/20 0.71
▸ HDAC8 Q9BY41 13/20 0.71
▸ HDAC6 Q9UBN7 13/20 0.71
▸ HDAC7 Q8WUI4 12/20 0.71
▸ HDAC10 Q969S8 12/20 0.71
▸ HDAC9 Q9UKV0 12/20 0.71
▸ HDAC5 Q9UQL6 12/20 0.71
▸ HDAC11 Q96DB2 11/20 0.71
▸ TOP2A P11388 1/20 0.41

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
SCHEMBL1520819 0.86 HDAC1 (0.72) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL1520815 0.86 HDAC1 (0.72) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL13859920 0.86 HDAC1 (0.72) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL1521164 0.85 HDAC1 (0.70) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL13465162 0.85 HDAC1 (0.70) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL1521160 0.85 HDAC1 (0.70) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL1521000 0.84 HDAC1 (0.60) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL1520997 0.84 HDAC1 (0.60) HDAC1HDAC4HDAC3HDAC2HDAC8
Trichostatin SCHEMBL16380793 0.83 HDAC1 (1.00) HDAC1HDAC4HDAC3HDAC2HDAC8
Trichostatin SCHEMBL675951 0.83 HDAC1 (1.00) HDAC1HDAC4HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 — — US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 — — US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 — — 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 HDAC1 1/4885HDAC4 7/4885HDAC3 2/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC1 5/4885HDAC4 27/4885HDAC3 3/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 HDAC1 9/4885HDAC4 30/4885HDAC3 4/4885

“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.

Send feedback