SCHEMBL3661421

SCHEMBL3661421

Nc1ccccc1NC(=O)c1ccc(OCCCN(C=O)c2cc3ccc(COc4ccccc4)cc3o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.51
HDAC2 Q92769 3/20 0.50
HDAC3 O15379 3/20 0.50
SENP7 Q9BQF6 2/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1B Q00975 1/20 0.42
SENP8 Q96LD8 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL3662971 0.96 HDAC1 (0.51) HDAC1HDAC2HDAC3SENP7NPC1
SCHEMBL3667359 0.94 HDAC1 (0.50) HDAC1HDAC2HDAC3SENP7NPC1
SCHEMBL3660137 0.93 HDAC1 (0.52) HDAC1HDAC2HDAC3
SCHEMBL3661434 0.90 HDAC1 (0.51) HDAC1HDAC2HDAC3SENP7NPC1
SCHEMBL3662948 0.89 HDAC1 (0.52) HDAC1HDAC2HDAC3SENP7SENP8
SCHEMBL3660128 0.89 HDAC2 (0.52) HDAC1HDAC2HDAC3SMN1; SMN2CACNA1H
SCHEMBL3663536 0.88 HDAC1 (0.51) HDAC1HDAC2HDAC3SENP7NPC1
SCHEMBL3664815 0.88 HDAC1 (0.51) HDAC1HDAC2HDAC3CACNA1HCACNA1B
SCHEMBL3661501 0.88 HDAC1 (0.54) HDAC1HDAC2HDAC3
SCHEMBL3663927 0.88 HDAC1 (0.53) HDAC1HDAC2HDAC3

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.