SCHEMBL3661035

SCHEMBL3661035

CCCc1cccc2cc(C(=O)NCCOc3ccc(C(=O)Nc4ccccc4N)cc3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.51
HDAC2 Q92769 4/20 0.51
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR35 Q9HC97 1/20 0.47
HDAC3 O15379 6/20 0.46
HDAC6 Q9UBN7 3/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
NCOR2 Q9Y618 1/20 0.44
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL3661190 0.94 HDAC2 (0.53) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3657262 0.92 SMN1; SMN2 (0.51) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3665583 0.90 HDAC2 (0.51) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3664230 0.90 HDAC2 (0.51) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3664348 0.90 HDAC2 (0.49) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3663554 0.89 SMN1; SMN2 (0.54) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3662687 0.88 HDAC2 (0.54) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3658903 0.88 HDAC2 (0.50) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3664495 0.87 HDAC1 (0.52) HDAC1HDAC2HPGDTSHRSMN1; SMN2
SCHEMBL3664293 0.87 HDAC2 (0.52) 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 4/4885HPGD 742/4885

“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.