SCHEMBL17549781

SCHEMBL17549781

C=C(c1ccc(N(C)C)cc1)[C@H](C)/C=C(C)/C=C/C(=O)NO

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.77
▸ HDAC6 Q9UBN7 13/20 0.77
▸ HDAC3 O15379 11/20 0.77
▸ HDAC4 P56524 11/20 0.77
▸ HDAC7 Q8WUI4 11/20 0.77
▸ HDAC2 Q92769 11/20 0.77
▸ HDAC10 Q969S8 11/20 0.77
▸ HDAC8 Q9BY41 11/20 0.77
▸ HDAC9 Q9UKV0 11/20 0.77
▸ HDAC5 Q9UQL6 11/20 0.77
▸ HDAC11 Q96DB2 10/20 0.77
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NR4A1 P22736 1/20 0.38

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
SCHEMBL8231474 0.88 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL14141462 0.88 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC4HDAC7
Trichostatin SCHEMBL675951 0.87 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
Trichostatin SCHEMBL19886 0.87 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
Trichostatin SCHEMBL446807 0.87 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
Trichostatin SCHEMBL16380793 0.87 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
Trichostatin SCHEMBL446806 0.87 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
Trichostatin SCHEMBL29450582 0.86 HDAC1 (0.97) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL25561421 0.82 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL14705471 0.81 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051314-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-22 — — US disclosed
US-20180051314-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-22 — — US disclosed
US-9745613-B2 Compounds, substrates and methods related to histone deacetylases THE BROAD INSTITUTE, INC. (US) 2017-08-29 — — US disclosed
US-9745613-B2 Compounds, substrates and methods related to histone deacetylases THE BROAD INSTITUTE, INC. (US) 2017-08-29 — — US disclosed
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-03 — — US disclosed
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-03 — — 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 (2 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-20180051314-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC6 16/4885HDAC3 4/4885
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC6 18/4885HDAC3 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