SCHEMBL659209

SCHEMBL659209

O=C(NO)c1ccc(C2(c3nccc(-c4cccnc4)n3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.57
HDAC1 Q13547 11/20 0.57
HDAC8 Q9BY41 8/20 0.57
HDAC3 O15379 2/20 0.57
HDAC2 Q92769 2/20 0.57
NCOR1 O75376 1/20 0.57
KDM1A O60341 1/20 0.52
HDAC7 Q8WUI4 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
CAMK2D Q13557 1/20 0.46
ABL1 P00519 3/20 0.43
BCR P11274 3/20 0.43
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
ABL2 P42684 1/20 0.43

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
SCHEMBL658895 0.87 HDAC1 (0.50) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL658401 0.84 HDAC1 (0.66) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL658238 0.82 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL1919049 0.80 HDAC1 (0.53) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL658194 0.77 HDAC1 (0.47) HDAC6HDAC1
SCHEMBL659119 0.74 CDK2 (0.54) HDAC6
SCHEMBL197796 0.74 LMNA (0.49) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL658003 0.73 HDAC1 (0.52) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL3348358 0.73 CDK2 (0.52) HDAC1
SCHEMBL657216 0.73 CDK2 (0.37) HDAC6HDAC1HDAC8HDAC3HDAC2

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 6 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

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 HDAC6 7/4885HDAC1 1/4885HDAC8 8/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC6 7/4885HDAC1 1/4885HDAC8 8/4885

“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.