SCHEMBL17064239

SCHEMBL17064239

COC(=O)CCCCCCC(=O)Nc1ccc(CCCC(=O)Nc2ccc(CCBr)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.55
EPHX2 P34913 1/20 0.53
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
PTPRC P08575 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
PTPN13 Q12923 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL17064287 0.99 EPHX2 (0.54) HDAC8EPHX2HPGDL3MBTL1HDAC3
SCHEMBL17064303 0.88 HDAC8 (0.56) HDAC8EPHX2HPGDL3MBTL1HDAC3
SCHEMBL17064261 0.86 EPHX2 (0.55) HDAC8EPHX2HPGDL3MBTL1HDAC3
SCHEMBL29093675 0.86 HDAC8 (0.60) HDAC8HPGDL3MBTL1HDAC3HDAC4
SCHEMBL27700759 0.86 TSHR (0.48) EPHX2ALDH1A1MAPTHTT
SCHEMBL28400275 0.85 HDAC8 (0.58) HDAC8EPHX2HPGDL3MBTL1HDAC3
SCHEMBL28131590 0.85 TRPV1 (0.57) HDAC8EPHX2HDAC3HDAC4HDAC1
SCHEMBL31635262 0.84 L3MBTL1 (0.69) HDAC8HPGDL3MBTL1HDAC3HDAC4
SCHEMBL17064252 0.84 MEN1 (0.57) HDAC8HPGDHDAC3HDAC4HDAC1
SCHEMBL28403659 0.84 HDAC8 (0.57) HDAC8EPHX2HPGDL3MBTL1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2023-01-31 US disclosed
US-20210009511-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY 2021-01-14 US disclosed
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-02 US disclosed
EP-3114109-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) The Johns Hopkins University (US) 2017-01-11 EP disclosed
WO-2015134973-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2015-09-11 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-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) KDM1B, KDM2A, EHMT2 HDAC8 31/4885EPHX2 2257/4885HPGD 990/4885
US-20210009511-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 HDAC8 31/4885EPHX2 2257/4885HPGD 990/4885
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 HDAC8 31/4885EPHX2 2257/4885HPGD 990/4885

“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.