SCHEMBL657008

SCHEMBL657008

Cc1nc2ccncn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.45
HDAC2 Q92769 4/20 0.37
HDAC3 O15379 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 2/20 0.37
PTK2 Q05397 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL197274 0.90 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC8
SCHEMBL3349151 0.87 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC8
SCHEMBL3355317 0.87 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC8
SCHEMBL196976 0.87 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC8
SCHEMBL3355420 0.86 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC8
SCHEMBL3350417 0.86 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL3356972 0.85 HDAC1 (0.44) HDAC1HDAC2HDAC3HDAC8
SCHEMBL3355558 0.85 HDAC1 (0.43) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL3352482 0.84 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC8
SCHEMBL3352603 0.84 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC8

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 disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 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 (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-20120045412-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.