SCHEMBL12499759

SCHEMBL12499759

CC[C@@]1(C(=O)O)[C@H](c2ccccc2F)[C@@H]1c1ccc(Cl)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 9/20 0.37
ALDH1A1 P00352 1/20 0.37
NFE2L2 Q16236 1/20 0.36
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP3A4 P08684 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL15768850 1.00 HDAC4 (0.37) HDAC4ALDH1A1NFE2L2KDM1ARCOR1
SCHEMBL12498067 0.83 HDAC4 (0.43) HDAC4ALDH1A1KDM1ARCOR1CYP3A4
SCHEMBL12499773 0.83 HDAC4 (0.43) HDAC4ALDH1A1KDM1ARCOR1CYP3A4
SCHEMBL15768725 0.83 HDAC4 (0.43) HDAC4ALDH1A1KDM1ARCOR1CYP3A4
SCHEMBL12499133 0.81 HDAC4 (0.61) HDAC4ALDH1A1KDM1ARCOR1KDM4E
SCHEMBL12498493 0.77 HDAC4 (0.61) HDAC4
SCHEMBL15769098 0.77 HDAC4 (0.61) HDAC4
SCHEMBL12499524 0.77 HDAC4 (0.46) HDAC4KDM1ARCOR1MAPTHDAC3
SCHEMBL15768824 0.77 HDAC4 (0.58) HDAC4ALDH1A1HDAC3HDAC1HDAC7
SCHEMBL15768671 0.77 HDAC4 (0.46) HDAC4KDM1ARCOR1MAPTHDAC3

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 10/4885ALDH1A1 559/4885NFE2L2 3178/4885

“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.