SCHEMBL3664880

SCHEMBL3664880

Nc1ccccc1NC(=O)c1ccc(OCCNC(=O)c2oc3ccccc3c2OCCN2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.55
MCHR1 Q99705 2/20 0.54
HDAC1 Q13547 12/20 0.52
BRD4 O60885 1/20 0.52
JAK1 P23458 1/20 0.52
HDAC3 O15379 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
KDM1A O60341 1/20 0.43
LTA4H P09960 1/20 0.43
ESR1 P03372 1/20 0.42
ADORA2A P29274 1/20 0.42
GCGR P47871 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
SCHEMBL3661200 0.88 HDAC2 (0.61) HDAC2HDAC1HDAC3HDAC10HDAC8
SCHEMBL3664385 0.87 HDAC1 (0.53) HDAC2MCHR1HDAC1BRD4JAK1
SCHEMBL3662008 0.87 HDAC2 (0.64) HDAC2HDAC1HDAC3HDAC10HDAC8
SCHEMBL3664654 0.86 HDAC1 (0.53) HDAC2MCHR1HDAC1BRD4JAK1
SCHEMBL3661211 0.85 HDAC2 (0.75) HDAC2HDAC1HDAC3HDAC10HDAC8
SCHEMBL3666016 0.85 HDAC2 (0.59) HDAC2MCHR1HDAC1HDAC3HDAC10
SCHEMBL3660370 0.84 MCHR1 (0.53) HDAC2MCHR1HDAC1BRD4JAK1
SCHEMBL3662573 0.83 HDAC2 (0.62) HDAC2HDAC1HDAC3HDAC10HDAC8
SCHEMBL3661299 0.82 HDAC2 (0.74) HDAC2HDAC1HDAC3HDAC10HDAC8
SCHEMBL3660109 0.82 HDAC1 (0.55) HDAC2MCHR1HDAC1BRD4JAK1

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 4/4885MCHR1 4638/4885HDAC1 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.