SCHEMBL17396335

SCHEMBL17396335

N=C(Nc1ccc(C2CC2)cc1)c1ccc(Br)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
MAOB P27338 1/20 0.39
DEGS1 O15121 1/20 0.38
KDM1A O60341 2/20 0.38
KCNH2 Q12809 2/20 0.38
KDM1B Q8NB78 1/20 0.38
HDAC1 Q13547 1/20 0.35
IDO1 P14902 1/20 0.34
KLKB1 P03952 2/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL17396257 0.78 NPC1 (0.47) HDAC8MAOB
SCHEMBL25384738 0.73 HDAC1 (0.38) HDAC8HDAC6MAOBKDM1AKCNH2
SCHEMBL17396232 0.73 RAB9A (0.46) MAOB
SCHEMBL17780006 0.73 KDM1A (0.58) KDM1AKCNH2KDM1BIDO1
SCHEMBL17396337 0.71 KDM1A (0.40) HDAC8HDAC6HDAC3HDAC11KDM1A
SCHEMBL6154851 0.69 HDAC3 (0.51) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL17396076 0.68 MAOB (0.55) HDAC6MAOBKDM1AHDAC1KLKB1
SCHEMBL29074408 0.67 HDAC3 (0.49) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL20596701 0.67 KDM1A (0.55) HDAC8HDAC6KDM1AKCNH2KDM1B
SCHEMBL24670922 0.66 TP53 (0.63) MAOB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511319-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2023-05-03 EP disclosed
EP-3511319-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2023-05-03 EP disclosed
EP-3164380-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2022-02-09 EP disclosed
EP-3164380-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2022-02-09 EP disclosed
EP-3511319-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2019-07-17 EP disclosed
EP-3511319-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2019-07-17 EP disclosed
US-20190002456-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2019-01-03 US disclosed
US-20190002456-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2019-01-03 US disclosed
US-10100046-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2018-10-16 US disclosed
US-20180127408-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-05-10 US disclosed
US-20180127408-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-05-10 US disclosed
US-9902719-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-27 US disclosed
US-9902719-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-27 US disclosed
US-9902719-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-27 US disclosed
US-20170129882-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2017-05-11 US disclosed
US-20170129882-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2017-05-11 US disclosed
US-20170129882-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2017-05-11 US disclosed
EP-3164380-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2017-05-10 EP disclosed
WO-2016003917-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. (US) 2016-01-07 WO disclosed
WO-2016003917-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. (US) 2016-01-07 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 (4 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-20170129882-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A HDAC8 139/4885HDAC6 306/4885HDAC3 123/4885
US-20180127408-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A HDAC8 139/4885HDAC6 306/4885HDAC3 123/4885
US-10100046-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A HDAC8 139/4885HDAC6 306/4885HDAC3 123/4885
US-20190002456-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A HDAC8 139/4885HDAC6 306/4885HDAC3 123/4885

“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.