SCHEMBL3657258

SCHEMBL3657258

Nc1ccccc1NC(=O)c1ccc(OCCN(CCc2ccccc2)C(=O)c2cc3ccccc3o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.55
HDAC1 Q13547 12/20 0.47
ALPG P10696 1/20 0.46
HDAC3 O15379 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
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
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
CYSLTR2 Q9NS75 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
SCHEMBL3665073 0.92 HDAC2 (0.52) HDAC2HDAC1HDAC3HDAC8NPC1
SCHEMBL3662606 0.91 HDAC2 (0.51) HDAC2HDAC1ALPGHDAC3SMN1; SMN2
SCHEMBL3663553 0.90 HDAC2 (0.55) HDAC2HDAC1ALPGHDAC3SMN1; SMN2
SCHEMBL3661033 0.90 HDAC2 (0.55) HDAC2HDAC1ALPGHDAC3SMN1; SMN2
SCHEMBL3658331 0.90 HDAC2 (0.48) HDAC2HDAC1ALPGHDAC3NPC1
SCHEMBL3662635 0.90 PTGS1 (0.46) HDAC2HDAC1HDAC3SMN1; SMN2HDAC4
SCHEMBL3666027 0.90 HDAC1 (0.48) HDAC2HDAC1HDAC3SMN1; SMN2HDAC4
SCHEMBL3661187 0.90 HDAC2 (0.56) HDAC2HDAC1ALPGHDAC3SMN1; SMN2
SCHEMBL3664179 0.89 HDAC2 (0.57) HDAC2HDAC1ALPGHDAC3SMN1; SMN2
SCHEMBL3660837 0.89 HDAC2 (0.54) HDAC2HDAC1ALPGHDAC3SMN1; 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 HDAC2 4/4885HDAC1 1/4885ALPG 945/4885

“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.