SCHEMBL3662781

SCHEMBL3662781

Nc1ccccc1NC(=O)c1ccc(OCCNC(=O)c2cc3cccc(OCCN4CCCC4)c3o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.52
BRD4 O60885 1/20 0.52
JAK1 P23458 1/20 0.52
HDAC2 Q92769 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MCHR1 Q99705 3/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
KDM1A O60341 1/20 0.43
HDAC3 O15379 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
LTA4H P09960 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
SCHEMBL3660370 0.89 MCHR1 (0.53) HDAC1BRD4JAK1HDAC2MCHR1
SCHEMBL3660109 0.88 HDAC1 (0.55) HDAC1BRD4JAK1HDAC2MCHR1
SCHEMBL3661175 0.88 HDAC2 (0.52) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3662772 0.88 HDAC1 (0.49) HDAC1BRD4JAK1HDAC2HPGD
SCHEMBL3660386 0.88 HDAC1 (0.54) HDAC1BRD4JAK1HDAC2MCHR1
SCHEMBL3664968 0.87 HDAC1 (0.51) HDAC1BRD4JAK1HDAC2HPGD
SCHEMBL3664293 0.86 HDAC2 (0.52) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3665639 0.86 HDAC2 (0.52) HDAC1HDAC2RXFP1HPGDTSHR
SCHEMBL3664187 0.85 HDAC1 (0.52) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3667972 0.84 HDAC2 (0.49) HDAC1HDAC2RXFP1HPGDTSHR

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 1/4885BRD4 70/4885JAK1 2568/4885

“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.