SCHEMBL12499783

SCHEMBL12499783

[c]1ccc(N2CC3(COC3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGLN2 Q96KS0 2/20 0.36
TSHR P16473 3/20 0.35
CYP3A4 P08684 4/20 0.34
USP2 O75604 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP2C19 P33261 3/20 0.34
LRRK2 Q5S007 5/20 0.33
MGLL Q99685 1/20 0.33
CYP1A2 P05177 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP2D6 P10635 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
DYRK1A Q13627 1/20 0.31
FPR2 P25090 2/20 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
SCHEMBL31175173 0.79 TSHR (0.55) HDAC4TSHRCYP3A4USP2HSD17B10
SCHEMBL17289883 0.76 HDAC4 (0.47) HDAC4L3MBTL3L3MBTL1EGLN2TSHR
SCHEMBL17308203 0.76 HDAC4 (0.43) HDAC4L3MBTL3L3MBTL1EGLN2USP2
SCHEMBL14320347 0.76 HDAC4 (0.47) HDAC4L3MBTL3L3MBTL1EGLN2TSHR
SCHEMBL15399669 0.76 HDAC4 (0.43) HDAC4L3MBTL3L3MBTL1EGLN2TSHR
SCHEMBL12498968 0.72 HDAC4 (0.40) HDAC4TSHRCYP3A4USP2HSD17B10
SCHEMBL2885644 0.72 L3MBTL3 (0.33) HDAC4L3MBTL3TSHR
SCHEMBL21292879 0.72 TRIM24 (0.52) HDAC4L3MBTL3L3MBTL1HSD17B10MGLL
SCHEMBL17306467 0.72 L3MBTL1 (0.42) HDAC4L3MBTL3L3MBTL1MGLLALDH1A1
SCHEMBL20897576 0.71 HDAC4 (0.52) HDAC4TSHRCYP3A4USP2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US claimed
EP-3356331-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS Selvita S.A. (PL) 2018-08-08 EP claimed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US claimed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US claimed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP claimed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO claimed
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US disclosed
EP-3356331-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS Selvita S.A. (PL) 2018-08-08 EP disclosed
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 (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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885L3MBTL3 4045/4885L3MBTL1 3578/4885
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS LDHB, LDHA, PDK1 HDAC4 1022/4885L3MBTL3 3887/4885L3MBTL1 3923/4885

“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.