SCHEMBL3356499

SCHEMBL3356499

CN(C)Cc1ccn2c(-c3csc(C4(c5ccc(C(=O)Nc6ccccc6N)cc5)CCCC4)n3)cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.44
HDAC3 O15379 4/20 0.38
HDAC2 Q92769 4/20 0.38
NCOR2 Q9Y618 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CSF1R P07333 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
SCHEMBL3357111 0.97 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL197769 0.94 HDAC1 (0.43) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL3351805 0.89 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3349030 0.89 MAP4K1 (0.35) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3352678 0.88 HDAC1 (0.45) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL3349018 0.87 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3358725 0.87 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3355184 0.86 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC8
SCHEMBL3356666 0.85 MAP4K1 (0.36) HDAC1HDAC8HDAC4HDAC7HDAC6
SCHEMBL3352366 0.85 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2HDAC8

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-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 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 1/4885HDAC3 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.