SCHEMBL3665614

SCHEMBL3665614

Nc1ccccc1NC(=O)c1ccc(OCCNC(=O)c2cc3c(OCc4ccccn4)cccc3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.48
HDAC2 Q92769 4/20 0.46
HDAC3 O15379 2/20 0.46
BRD4 O60885 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK14 Q16539 3/20 0.43
SMO Q99835 3/20 0.43
KDM1A O60341 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 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
SCHEMBL3661427 0.88 HDAC1 (0.47) HDAC1HDAC2HDAC3BRD4HPGD
SCHEMBL3665161 0.88 HDAC2 (0.53) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3662512 0.87 HDAC2 (0.50) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3663309 0.87 HDAC1 (0.51) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3662807 0.86 HDAC1 (0.54) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3664362 0.86 HDAC1 (0.51) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3665465 0.85 HDAC2 (0.52) HDAC1HDAC2HDAC3KDM1ANCOR2
SCHEMBL3664963 0.84 HDAC1 (0.51) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL3665456 0.84 HDAC2 (0.56) HDAC1HDAC2HDAC3SMN1; SMN2MAPK14
SCHEMBL3660184 0.83 HDAC2 (0.52) HDAC1HDAC2HDAC3HPGDTSHR

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.