SCHEMBL16142244

SCHEMBL16142244

N#CC(c1ccc(Br)cc1)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 2/20 0.40
ALPG P10696 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.36
HTR2A P28223 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
IGF1R P08069 1/20 0.34
NAAA Q02083 1/20 0.33
TRPA1 O75762 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
SCHEMBL1507854 0.86 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2HPGDALPG
SCHEMBL29031375 0.83 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2HPGDALPG
SCHEMBL29031412 0.79 KDM4E (0.39) ALDH1A1LMNASMN1; SMN2HPGDALPG
SCHEMBL5773518 0.77 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HPGDALPG
SCHEMBL8257454 0.77 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2HPGDALPG
SCHEMBL16111744 0.73 HTR2A (0.37) ALDH1A1LMNAHTTTDP1MEN1
SCHEMBL9729013 0.73 HTR2A (0.41) ALDH1A1LMNAHTTMEN1GAA
SCHEMBL16111990 0.73 IGF1R (0.42) ALDH1A1LMNAHTTMEN1GAA
SCHEMBL29031381 0.71 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2HPGDALPG
SCHEMBL327420 0.71 IDO1 (0.51) ALDH1A1LMNAHTTNPSR1MEN1

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
EP-2968232-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2018-12-05 EP disclosed
US-10105363-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-10-23 US disclosed
US-20170224684-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-08-10 US disclosed
US-20170224684-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-08-10 US disclosed
US-20170224684-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-08-10 US disclosed
US-9562021-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-02-07 US disclosed
US-9562021-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-02-07 US disclosed
US-9562021-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-02-07 US disclosed
US-20160024019-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-01-28 US disclosed
US-20160024019-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-01-28 US disclosed
US-20160024019-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-01-28 US disclosed
WO-2014159210-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 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 (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-10105363-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 ALDH1A1 559/4885LMNA 468/4885SMN1; SMN2 3271/4885
US-20160024019-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 ALDH1A1 559/4885LMNA 468/4885SMN1; SMN2 3271/4885
US-20170224684-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 ALDH1A1 559/4885LMNA 468/4885SMN1; SMN2 3271/4885

“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.