SCHEMBL3661639

SCHEMBL3661639

COC(C)Oc1ccc2cc(C(=O)NCCCOc3ccc(C(=O)Nc4ccccc4N)cc3)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.56
HDAC2 Q92769 5/20 0.54
HDAC3 O15379 5/20 0.50
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KDM1A O60341 1/20 0.46
ADORA2A P29274 1/20 0.44
CYP2D6 P10635 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
SCHEMBL3664753 0.97 HDAC1 (0.57) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3663199 0.92 HDAC2 (0.54) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3663929 0.91 HDAC1 (0.59) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3664762 0.89 HDAC1 (0.60) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3661419 0.88 HDAC2 (0.48) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3664818 0.88 HDAC2 (0.57) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3660130 0.88 HDAC2 (0.70) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3660140 0.87 HDAC2 (0.57) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3660126 0.87 HDAC2 (0.47) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3665701 0.86 HDAC1 (0.63) HDAC1HDAC2HDAC3HPGDTSHR

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-20100292320-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2010-11-18 US claimed
EP-2220066-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS Gilead Colorado, Inc. (US) 2010-08-25 EP claimed
WO-2009079391-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2009-06-25 WO claimed
US-20100292320-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2010-11-18 US disclosed
EP-2220066-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS Gilead Colorado, Inc. (US) 2010-08-25 EP disclosed
WO-2009079391-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2009-06-25 WO 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-20100292320-A1 BENZOFURAN ANILIDE HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC7, HDAC5 HDAC1 1/4885HDAC2 4/4885HDAC3 11/4885

“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.