SCHEMBL5459246

SCHEMBL5459246

COc1ccc(Cn2cc(CN(C)C)c3ccccc32)c(C(=O)NO)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.60
HDAC1 Q13547 6/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC3 O15379 2/20 0.60
NCOR2 Q9Y618 1/20 0.60
HTR6 P50406 3/20 0.47
TP53 P04637 1/20 0.46
PLA2G2A P14555 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 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
SCHEMBL5139825 0.90 HDAC1 (0.52) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL5458427 0.90 HDAC6 (0.50) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL5462734 0.84 HDAC6 (0.60) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL5461024 0.83 PLA2G2A (0.51) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL5450617 0.83 HDAC10 (0.51) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL5140664 0.79 NR4A2 (0.52) HTR6TP53PLA2G2APOLBMAPT
SCHEMBL5457548 0.78 CHRM1 (0.56) HTR6TP53PLA2G2AMAPTMTNR1A
SCHEMBL1608577 0.75 HDAC6 (0.67) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL5139828 0.74 HDAC3 (0.52) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL5131095 0.73 PLA2G2A (0.52) HTR6TP53PLA2G2APOLBMAPT

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-9371281-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS LLC (US) 2016-06-21 US disclosed
US-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2015-10-22 US disclosed
US-8900565-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-02 US disclosed
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2013-06-20 US disclosed
US-8338416-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYLICS, INC. (US) 2012-12-25 US disclosed
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 US 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 (3 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-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC6 10/4885HDAC1 2/4885HDAC2 3/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC6 10/4885HDAC1 2/4885HDAC2 3/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC6 10/4885HDAC1 2/4885HDAC2 3/4885

“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.