SCHEMBL658390

SCHEMBL658390

Nc1ccccc1NC(=O)c1ccc(C2(c3nnn[nH]3)CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.50
HDAC3 O15379 11/20 0.50
HDAC2 Q92769 11/20 0.50
HDAC8 Q9BY41 6/20 0.50
HDAC4 P56524 5/20 0.50
HDAC7 Q8WUI4 5/20 0.50
HDAC10 Q969S8 5/20 0.50
HDAC11 Q96DB2 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
HDAC9 Q9UKV0 5/20 0.50
HDAC5 Q9UQL6 5/20 0.50
PTGS1 P23219 1/20 0.45
MAPK1 P28482 1/20 0.44
NCOR2 Q9Y618 3/20 0.44
PIK3CA P42336 1/20 0.43
NAMPT P43490 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL197209 0.84 HDAC2 (0.50) HDAC1HDAC3HDAC2
SCHEMBL197176 0.83 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL196484 0.79 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL659898 0.78 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2700440 0.76 HDAC1 (0.56) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL197594 0.75 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL197198 0.72 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL197753 0.72 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL656877 0.71 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL197514 0.71 HDAC3 (0.46) HDAC1HDAC3HDAC2HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US claimed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US claimed
JP-2011529504-A 2011-12-08 JP claimed
EP-2326622-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-01 EP claimed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 WO claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 WO disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC3 4/4885HDAC2 3/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC3 4/4885HDAC2 3/4885

“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.