SCHEMBL3657302

SCHEMBL3657302

CN(C)CCOc1ccc2oc(N(C=O)CCOc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.51
CACNA1H O95180 3/20 0.44
CACNA1B Q00975 2/20 0.44
HDAC2 Q92769 5/20 0.43
HDAC3 O15379 4/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.41
PIK3CA P42336 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NCOR1 O75376 1/20 0.40
ADORA2A P29274 1/20 0.40
CA12 O43570 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
SCHEMBL3663479 0.94 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL3663197 0.93 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL3660000 0.93 HDAC1 (0.54) HDAC1CACNA1HCACNA1BHDAC2HDAC3
SCHEMBL3662623 0.93 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL3665072 0.93 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL3663809 0.91 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL3664601 0.91 HDAC1 (0.45) HDAC1CACNA1HCACNA1BHDAC2HDAC3
SCHEMBL3664586 0.91 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL3665044 0.90 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC10HDAC4
SCHEMBL3659005 0.90 HDAC2 (0.52) HDAC1HDAC2HDAC3HDAC10HDAC4

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 1/4885CACNA1H 4310/4885CACNA1B 4251/4885

“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.