SCHEMBL5139828

SCHEMBL5139828

COC(=O)c1cc(OC)ccc1Cn1cc(CN2CCCC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.46
HTR6 P50406 4/20 0.44
PLA2G2A P14555 2/20 0.44
NR4A2 P43354 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CACNB4 O00305 1/20 0.43
CACNA1A O00555 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
SCHEMBL5139226 0.92 CNR1 (0.52) L3MBTL1TP53MEN1KMT2ARAB9A
SCHEMBL5462734 0.90 HDAC6 (0.60) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5140664 0.87 NR4A2 (0.52) L3MBTL1TP53HTR6PLA2G2ANR4A2
SCHEMBL5139825 0.84 HDAC1 (0.52) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5450617 0.83 HDAC10 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5139132 0.81 ALDH1A1 (0.58) L3MBTL1NR4A2MEN1KMT2APOLB
SCHEMBL5131095 0.81 PLA2G2A (0.52) TP53HTR6PLA2G2ANR4A2MEN1
SCHEMBL5457548 0.78 CHRM1 (0.56) TP53HTR6PLA2G2ARAB9AMAPT
SCHEMBL5458427 0.77 HDAC6 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5459246 0.74 HDAC6 (0.60) HDAC3HDAC1HDAC2HDAC10HDAC8

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 8 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
WO-2007109178-A9 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS INC (US) 2008-10-16 WO disclosed
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 US disclosed
WO-2007109178-A2 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-09-27 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 (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 HDAC3 8/4885HDAC1 2/4885HDAC2 3/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC3 8/4885HDAC1 2/4885HDAC2 3/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC3 8/4885HDAC1 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.