SCHEMBL5461024

SCHEMBL5461024

COc1ccc(Cn2cc(CNCc3ccccc3)c3ccccc32)c(C(=O)NO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.51
HDAC1 Q13547 4/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
CHRM1 P11229 1/20 0.45
TP53 P04637 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44

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
SCHEMBL5131095 0.90 PLA2G2A (0.52) PLA2G2AMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL5458427 0.87 HDAC6 (0.50) PLA2G2AHDAC1MTNR1AMTNR1BHDAC6
SCHEMBL5459246 0.83 HDAC6 (0.60) PLA2G2AHDAC1MTNR1AMTNR1BHDAC6
SCHEMBL5462734 0.82 HDAC6 (0.60) PLA2G2AHDAC1HDAC6HDAC10HDAC8
SCHEMBL5450617 0.80 HDAC10 (0.51) HDAC1HDAC6HDAC10HDAC8MEN1
SCHEMBL1609182 0.79 HDAC6 (0.59) PLA2G2AHDAC1MTNR1AMTNR1BHDAC6
SCHEMBL5457548 0.78 CHRM1 (0.56) PLA2G2AMTNR1AMTNR1BALDH1A1MAPT
SCHEMBL9732896 0.77 PLA2G2A (0.69) PLA2G2AHDAC1MTNR1AMTNR1BHDAC6
SCHEMBL5140664 0.77 NR4A2 (0.52) PLA2G2AMTNR1AMTNR1BPOLBMAPT
SCHEMBL9733129 0.75 PLA2G2A (0.66) PLA2G2AHDAC1MTNR1AMTNR1BHDAC6

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 PLA2G2A 4043/4885HDAC1 2/4885MTNR1A 440/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 PLA2G2A 4043/4885HDAC1 2/4885MTNR1A 440/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 PLA2G2A 4043/4885HDAC1 2/4885MTNR1A 440/4885

“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.