SCHEMBL3662148

SCHEMBL3662148

Nc1ccccc1NC(=O)c1ccc(OCCCN(C=O)c2oc3ccccc3c2COc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC3 O15379 2/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1B Q00975 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
PLK1 P53350 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL3664208 0.96 HDAC1 (0.46) HDAC1HDAC2HDAC3KDM4EALDH1A1
SCHEMBL3662726 0.93 HDAC2 (0.46) HDAC1HDAC2HDAC3CACNA1HCACNA1B
SCHEMBL3660289 0.89 HDAC2 (0.46) HDAC1HDAC2HDAC3MAPTHPGD
SCHEMBL3658006 0.87 TP53 (0.46) HDAC1HDAC2HDAC3CACNA1HCACNA1B
SCHEMBL3662811 0.87 HDAC2 (0.46) HDAC1HDAC2HDAC3MAPTHPGD
SCHEMBL3666144 0.86 HDAC1 (0.44) HDAC1HDAC2HDAC3MAPTHPGD
SCHEMBL3663336 0.86 HDAC1 (0.44) HDAC1HDAC2HDAC3KDM4EALDH1A1
SCHEMBL3661298 0.86 HDAC2 (0.55) HDAC1HDAC2HDAC3CACNA1HCACNA1B
SCHEMBL3664788 0.85 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3664760 0.85 HDAC1 (0.49) HDAC1HDAC2HDAC3CACNA1HCACNA1B

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.