SCHEMBL197564

SCHEMBL197564

CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(C2(c3ncc(-c4cccnc4)s3)CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.44
HDAC2 Q92769 9/20 0.44
HDAC3 O15379 7/20 0.44
HDAC8 Q9BY41 3/20 0.42
NAMPT P43490 1/20 0.38
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
HCK P08631 1/20 0.36
NR2C2 P49116 1/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL196735 0.87 HDAC1 (0.43) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL197709 0.87 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL199793 0.85 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL197565 0.83 HDAC1 (0.34) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL8292317 0.82 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC8NAMPT
SCHEMBL2698871 0.82 HDAC1 (0.41) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL198854 0.76 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC8NAMPT
SCHEMBL197426 0.76 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL14155991 0.74 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC8NAMPT
SCHEMBL3642412 0.73 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC8NAMPT

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 4 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 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-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 1/4885HDAC2 3/4885HDAC3 4/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC2 3/4885HDAC3 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.