SCHEMBL4258833

SCHEMBL4258833

Cn1cc(C(=O)c2ccccc2)cc1C=CC(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 16/20 1.00
HDAC10 Q969S8 15/20 1.00
HDAC3 O15379 13/20 1.00
HDAC4 P56524 13/20 1.00
HDAC1 Q13547 13/20 1.00
HDAC7 Q8WUI4 13/20 1.00
HDAC2 Q92769 13/20 1.00
HDAC11 Q96DB2 13/20 1.00
HDAC6 Q9UBN7 13/20 1.00
HDAC9 Q9UKV0 13/20 1.00
HDAC5 Q9UQL6 13/20 1.00

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
SCHEMBL3218780 0.88 HDAC8 (1.00) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL3218796 0.88 HDAC8 (1.00) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL28881222 0.87 HDAC8 (0.77) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL1249448 0.82 HDAC8 (1.00) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL8131488 0.82 HDAC8 (1.00) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL5664807 0.79 ATM (0.72) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL17199333 0.74 HDAC8 (0.74) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL29867042 0.71 HDAC8 (0.55) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL12732943 0.71 HDAC8 (0.55) HDAC8HDAC10HDAC3HDAC4HDAC1
SCHEMBL14974122 0.71 HDAC8 (0.74) HDAC8HDAC10HDAC3HDAC4HDAC1

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-20160378912-A1 STRUCTURE-BASED MODELING AND TARGET-SELECTIVITY PREDICTION EPIGENETX LLC (US) 2016-12-29 US disclosed
WO-2015002860-A1 STRUCTURE-BASED MODELING AND TARGET-SELECTIVITY PREDICTION EPIGENETX, LLC (US) 2015-01-08 WO disclosed
US-20090081318-A1 TREATMENT OF NEUROADS USING INHIBITORS OF GLYCOGEN SYNTHASE KINASE (GSK)-3 UNIVERSITY OF ROCHESTER 2009-03-26 US disclosed
EP-1976976-A2 TREATMENT OF NEUROAIDS USING INHIBITORS OF GLYCOGEN SYNTHASE KINASE (GSK)-3 University of Rochester (US) 2008-10-08 EP disclosed
WO-2007076372-A2 TREATMENT OF NEUROAIDS USING INHIBITORS OF GLYCOGEN SYNTHASE KINASE (GSK)-3 UNIVERSITY OF ROCHESTER (US) 2007-07-05 WO disclosed
US-20060128660-A1 FK228 analogs and methods of making and using the same WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-06-15 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 (2 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-20090081318-A1 TREATMENT OF NEUROADS USING INHIBITORS OF GLYCOGEN SYNTHASE KINASE (GSK)-3 GSK3A, GSK3B, PYGB HDAC8 1168/4885HDAC10 1280/4885HDAC3 335/4885
US-20060128660-A1 FK228 analogs and methods of making and using the same HDAC8, HDAC1, HDAC11 HDAC8 1/4885HDAC10 6/4885HDAC3 4/4885

“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.