SCHEMBL658238

SCHEMBL658238

O=C(NO)c1ccc(C2(c3nccc(-c4ccccn4)n3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.47
CAMK2D Q13557 1/20 0.42
ADORA3 P0DMS8 5/20 0.42
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
HDAC1 Q13547 8/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
GRM1 Q13255 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL657524 0.84 HDAC1 (0.48) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL658895 0.82 HDAC1 (0.50) HDAC6CAMK2DHDAC1HDAC2HDAC8
SCHEMBL659209 0.82 HDAC6 (0.57) HDAC6CAMK2DHDAC1HDAC2HDAC8
SCHEMBL1920158 0.81 ADORA3 (0.52) HDAC6ADORA3KDM4AKDM4BKDM5B
SCHEMBL658194 0.78 HDAC1 (0.47) HDAC6HDAC1ALDH1A1MAPTNPC1
SCHEMBL3348358 0.77 CDK2 (0.52) HDAC1KDM4EALDH1A1
SCHEMBL1920118 0.74 HDAC6 (0.39) HDAC6CAMK2DHDAC1HDAC2HDAC8
SCHEMBL659119 0.74 CDK2 (0.54) HDAC6
SCHEMBL657125 0.73 HDAC1 (0.39) HDAC6HDAC1HDAC2HDAC8KDM1A
SCHEMBL655847 0.72 HDAC1 (0.49) HDAC6HDAC1HDAC2HDAC8HDAC3

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 7/4885CAMK2D 554/4885ADORA3 4626/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC6 7/4885CAMK2D 554/4885ADORA3 4626/4885

“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.