SCHEMBL5458427

SCHEMBL5458427

CCc1cn(Cc2ccc(OC)cc2C(=O)NO)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.50
HDAC10 Q969S8 4/20 0.50
TP53 P04637 1/20 0.49
PLA2G2A P14555 2/20 0.47
HDAC1 Q13547 5/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
CHRM1 P11229 1/20 0.45

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
SCHEMBL5459246 0.90 HDAC6 (0.60) HDAC6HDAC10TP53PLA2G2AHDAC1
SCHEMBL5140664 0.89 NR4A2 (0.52) TP53PLA2G2AMTNR1AMTNR1BPOLB
SCHEMBL5462734 0.88 HDAC6 (0.60) HDAC6HDAC10TP53PLA2G2AHDAC1
SCHEMBL5457548 0.88 CHRM1 (0.56) TP53PLA2G2AMTNR1AMTNR1BMAPT
SCHEMBL5461024 0.87 PLA2G2A (0.51) HDAC6HDAC10TP53PLA2G2AHDAC1
SCHEMBL5450617 0.86 HDAC10 (0.51) HDAC6HDAC10TP53HDAC1HDAC8
SCHEMBL5139825 0.79 HDAC1 (0.52) HDAC6HDAC10TP53PLA2G2AHDAC1
SCHEMBL5139828 0.77 HDAC3 (0.52) HDAC6HDAC10TP53PLA2G2AHDAC1
SCHEMBL13131367 0.77 MAPT (0.57) TP53PLA2G2AMTNR1AMTNR1BPOLB
SCHEMBL5131095 0.76 PLA2G2A (0.52) TP53PLA2G2AMTNR1AMTNR1BPOLB

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 10/4885HDAC10 11/4885TP53 2209/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC6 10/4885HDAC10 11/4885TP53 2209/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC6 10/4885HDAC10 11/4885TP53 2209/4885

“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.