SCHEMBL3665073

SCHEMBL3665073

Nc1ccccc1NC(=O)c1ccc(OCCN(CCc2ccc(C(F)(F)F)cc2)C(=O)c2cc3ccccc3o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.52
PTGS1 P23219 2/20 0.48
HDAC1 Q13547 11/20 0.47
HDAC3 O15379 2/20 0.44
HDAC8 Q9BY41 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
PPARG P37231 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL3658331 0.93 HDAC2 (0.48) HDAC2PTGS1HDAC1HDAC3PPARG
SCHEMBL3657258 0.92 HDAC2 (0.55) HDAC2HDAC1HDAC3HDAC8NPC1
SCHEMBL3662635 0.92 PTGS1 (0.46) HDAC2PTGS1HDAC1HDAC3HDAC8
SCHEMBL3666027 0.92 HDAC1 (0.48) HDAC2PTGS1HDAC1HDAC3HDAC8
SCHEMBL3666026 0.89 NPC1 (0.49) HDAC2PTGS1HDAC1HDAC3NPC1
SCHEMBL3660155 0.87 HDAC2 (0.51) HDAC2PTGS1HDAC1HDAC3HDAC8
SCHEMBL3660719 0.86 HDAC2 (0.52) HDAC2PTGS1HDAC1HDAC3HDAC8
SCHEMBL3661220 0.86 HDAC2 (0.55) HDAC2PTGS1HDAC1HDAC3HDAC8
SCHEMBL3661033 0.86 HDAC2 (0.55) HDAC2HDAC1HDAC3HDAC8NPC1
SCHEMBL3659804 0.85 HDAC1 (0.42) HDAC2PTGS1HDAC1HDAC3HDAC8

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 3 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 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 4/4885PTGS1 2234/4885HDAC1 1/4885

“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.