SCHEMBL12499133

SCHEMBL12499133

CCC1(C(=O)O)C(c2ccc(NCC(F)(F)F)nc2)C1c1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 9/20 0.61
BACE1 P56817 2/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
HCAR3 P49019 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE10A Q9Y233 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL12499759 0.81 HDAC4 (0.37) HDAC4HDAC1HDAC3HDAC7HDAC8
SCHEMBL15768850 0.81 HDAC4 (0.37) HDAC4HDAC1HDAC3HDAC7HDAC8
SCHEMBL15768725 0.78 HDAC4 (0.43) HDAC4HDAC1HDAC3HDAC7HDAC8
SCHEMBL12498067 0.78 HDAC4 (0.43) HDAC4HDAC1HDAC3HDAC7HDAC8
SCHEMBL12499773 0.78 HDAC4 (0.43) HDAC4HDAC1HDAC3HDAC7HDAC8
SCHEMBL15768543 0.76 HDAC4 (1.00) HDAC4HDAC1HDAC3HDAC7HDAC8
SCHEMBL15786658 0.74 HDAC4 (0.72) HDAC4NPC1RAB9AKDM4EALDH1A1
SCHEMBL12499132 0.74 HDAC4 (0.72) HDAC4NPC1RAB9AKDM4EALDH1A1
SCHEMBL12498493 0.72 HDAC4 (0.61) HDAC4
SCHEMBL15769098 0.72 HDAC4 (0.61) HDAC4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 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 (1 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885BACE1 1997/4885HDAC1 1/4885

“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.