SCHEMBL3659804

SCHEMBL3659804

Nc1ccccc1NC(=O)c1ccc(OCCN(CCc2ccccc2)C(=O)c2cc3cccc(C(F)(F)F)c3o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC3 O15379 2/20 0.42
CYSLTR2 Q9NS75 4/20 0.41
CYSLTR1 Q9Y271 4/20 0.41
PTGS1 P23219 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
AR P10275 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 1/20 0.40
ADORA1 P30542 1/20 0.40
ADRA1A P35348 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
SCHEMBL3665075 0.89 HDAC1 (0.43) HDAC1HDAC2HDAC3CYSLTR2CYSLTR1
SCHEMBL3657258 0.87 HDAC2 (0.55) HDAC1HDAC2HDAC3CYSLTR2CYSLTR1
SCHEMBL3663056 0.86 HDAC1 (0.43) HDAC1HDAC2HDAC3PTGS1
SCHEMBL3662635 0.86 PTGS1 (0.46) HDAC1HDAC2HDAC3CYSLTR2CYSLTR1
SCHEMBL3666027 0.86 HDAC1 (0.48) HDAC1HDAC2HDAC3PTGS1HDAC4
SCHEMBL3666026 0.86 NPC1 (0.49) HDAC1HDAC2HDAC3PTGS1HDAC6
SCHEMBL3665073 0.85 HDAC2 (0.52) HDAC1HDAC2HDAC3PTGS1HDAC8
SCHEMBL3658331 0.85 HDAC2 (0.48) HDAC1HDAC2HDAC3PTGS1NPC1
SCHEMBL3662757 0.83 HDAC2 (0.52) HDAC1HDAC2HDAC3PTGS1HDAC4
SCHEMBL3748447 0.82 HDAC1 (0.47) HDAC1HDAC2HDAC3GPR35HDAC4

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 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.