SCHEMBL3660004

SCHEMBL3660004

CN(C)CCOc1ccc2cc(C(=O)NCCOc3ccc(C(=O)Nc4ccccc4N)cc3)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.59
HDAC2 Q92769 6/20 0.55
CYP2D6 P10635 2/20 0.53
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC3 O15379 6/20 0.47
ALOX5 P09917 1/20 0.46
KDM1A O60341 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1B Q00975 1/20 0.46
HDAC10 Q969S8 4/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
NCOR2 Q9Y618 2/20 0.45

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
SCHEMBL3657306 0.94 HDAC1 (0.55) HDAC1HDAC2CYP2D6HPGDTSHR
SCHEMBL3662109 0.90 HDAC2 (0.58) HDAC1HDAC2CYP2D6HPGDTSHR
SCHEMBL3665701 0.90 HDAC1 (0.63) HDAC1HDAC2CYP2D6HPGDTSHR
SCHEMBL3664762 0.89 HDAC1 (0.60) HDAC1HDAC2CYP2D6HPGDTSHR
SCHEMBL3663432 0.89 HDAC1 (0.60) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3663614 0.89 HDAC2 (0.55) HDAC1HDAC2CYP2D6HPGDTSHR
SCHEMBL3664187 0.88 HDAC1 (0.52) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3665620 0.88 HDAC2 (0.58) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3659009 0.87 HDAC2 (0.71) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3661503 0.87 HDAC1 (0.61) HDAC1HDAC2HPGDTSHRSMN1; SMN2

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 4/4885CYP2D6 1759/4885

“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.