SCHEMBL197856

SCHEMBL197856

Cc1nc2cc(CN(C)C)ccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.44
KCNH2 Q12809 1/20 0.39
HDAC3 O15379 2/20 0.37
HDAC2 Q92769 2/20 0.37
NCOR2 Q9Y618 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL3352366 0.95 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL3352678 0.94 HDAC1 (0.45) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL197571 0.89 KCNH2 (0.40) HDAC1KCNH2HDAC8
SCHEMBL197969 0.89 HDAC1 (0.42) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL196688 0.89 HDAC1 (0.43) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL197769 0.88 HDAC1 (0.43) HDAC1KCNH2HDAC3HDAC2NCOR2
SCHEMBL198043 0.88 HDAC1 (0.43) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL196854 0.88 HDAC1 (0.52) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL196936 0.87 HDAC1 (0.42) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL199015 0.87 HDAC1 (0.42) HDAC1KCNH2HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885KCNH2 4061/4885HDAC3 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.