SCHEMBL2990484

SCHEMBL2990484

Cc1cccc(C)c1NC(=O)CCBr

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
LMNA P02545 3/20 0.60
SCN3A Q9NY46 3/20 0.60
CYP3A4 P08684 2/20 0.60
MAPK1 P28482 1/20 0.60
MC4R P32245 1/20 0.60
SCN4A P35499 1/20 0.60
MC3R P41968 1/20 0.60

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
SCHEMBL3892849 0.89 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11428449 0.89 POLB (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11753909 0.87 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3442560 0.85 MAPT (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11753258 0.85 MAPT (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11747135 0.83 MAPT (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7227453 0.83 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6923968 0.83 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15346769 0.81 LMNA (0.61) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7822207 0.81 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184770-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-07-22 US disclosed
EP-2091538-B1 4-BENZYL-1(2H)-PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2010-03-03 EP disclosed
EP-1806346-B1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS INC (US) 2009-07-22 EP disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
EP-1567525-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-06-27 EP disclosed
EP-1567525-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-06-27 EP disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 WO disclosed
EP-0198325-B1 SUBSTITUTED ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1992-07-15 EP disclosed
US-4891429-A CHEMICAL INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1990-01-02 US disclosed
US-4696930-A CARDIOVASCULAR DISORDERS, ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1987-09-29 US disclosed
EP-0198325-A2 Substituted aniline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1986-10-22 EP disclosed
US-4237068-A Primary aminoacylanilides ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-12-02 US disclosed
US-4218477-A LONG LASTING ORAL AGENTS ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-08-19 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-20100184770-A1 COMPOUNDS CMA1, TSLP, IL5 HDAC3 836/4885HDAC4 680/4885HDAC1 513/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A HDAC3 318/4885HDAC4 1072/4885HDAC1 507/4885

“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.