SCHEMBL3661226

SCHEMBL3661226

Nc1ccccc1NC(=O)c1ccc(OCCN(OCCC2COCCN2)C(=O)c2cc3ccccc3o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.45
HDAC1 Q13547 13/20 0.41
HDAC3 O15379 3/20 0.40
MKNK1 Q9BUB5 2/20 0.38
KDM1A O60341 1/20 0.37
TP53 P04637 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL3660385 0.91 HDAC2 (0.47) HDAC2HDAC1HDAC3KDM1ATP53
SCHEMBL3661581 0.88 HDAC2 (0.47) HDAC2HDAC1HDAC3KDM1ATP53
SCHEMBL3661172 0.85 HDAC2 (0.55) HDAC2HDAC1HDAC3TP53ACHE
SCHEMBL3661822 0.85 HDAC2 (0.45) HDAC2HDAC1HDAC3MKNK1KDM1A
SCHEMBL3660369 0.84 HDAC2 (0.46) HDAC2HDAC1HDAC3KDM1ATP53
SCHEMBL3662571 0.83 HDAC2 (0.54) HDAC2HDAC1HDAC3TP53ACHE
SCHEMBL3657304 0.82 HDAC1 (0.54) HDAC2HDAC1HDAC3TP53ACHE
SCHEMBL3664609 0.82 HDAC1 (0.55) HDAC2HDAC1HDAC3TP53
SCHEMBL3662006 0.82 HDAC2 (0.55) HDAC2HDAC1HDAC3TP53ACHE
SCHEMBL3660108 0.80 HDAC1 (0.51) HDAC2HDAC1HDAC3TP53

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 4/4885HDAC1 1/4885HDAC3 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.