SCHEMBL3664629

SCHEMBL3664629

CN1CCN(CN(CCOc2ccc(C(=O)Nc3ccccc3N)cc2)C(=O)c2cc3ccccc3o2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.49
NPSR1 Q6W5P4 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
HDAC1 Q13547 10/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
BRD4 O60885 1/20 0.44
JAK1 P23458 1/20 0.44
UTS2R Q9UKP6 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL3662770 0.93 HDAC2 (0.51) HDAC2NPSR1DRD2DRD3SMN1; SMN2
SCHEMBL3664966 0.92 HDAC2 (0.51) HDAC2NPSR1DRD2DRD3SMN1; SMN2
SCHEMBL3663180 0.92 HDAC1 (0.51) HDAC2DRD2DRD3SMN1; SMN2HDAC1
SCHEMBL3660074 0.88 HDAC2 (0.46) HDAC2DRD2DRD3HDAC1BRD4
SCHEMBL3661033 0.87 HDAC2 (0.55) HDAC2SMN1; SMN2TSHRHDAC1HDAC3
SCHEMBL3658967 0.87 HDAC2 (0.46) HDAC2DRD2DRD3SMN1; SMN2HDAC1
SCHEMBL3661187 0.86 HDAC2 (0.56) HDAC2SMN1; SMN2TSHRHDAC1HDAC3
SCHEMBL3664547 0.86 HDAC1 (0.45) HDAC2HDAC1BRD4JAK1HDAC3
SCHEMBL3662956 0.86 HDAC1 (0.50) HDAC2HDAC1BRD4JAK1HDAC3
SCHEMBL3660290 0.85 HDAC2 (0.55) HDAC2NPSR1SMN1; SMN2TSHRHDAC1

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 HDAC2 4/4885NPSR1 4123/4885DRD2 4640/4885

“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.