SCHEMBL17396337

SCHEMBL17396337

NC(=Nc1ccc(C2CC2)cc1)c1ccc(Br)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.40
KCNH2 Q12809 2/20 0.40
KDM1B Q8NB78 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
CYP2C9 P11712 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
IDO1 P14902 3/20 0.33
TDO2 P48775 2/20 0.33
SLC9A1 P19634 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL17396258 0.77 NOS3 (0.49) NOS3NOS1NOS2
SCHEMBL17396235 0.72 HTR3E (0.48) MAPK1QRFPR
SCHEMBL17780006 0.72 KDM1A (0.58) KDM1AKCNH2KDM1BMEN1KMT2A
SCHEMBL17396335 0.71 HDAC8 (0.47) KDM1AKCNH2KDM1BHDAC8HDAC6
SCHEMBL25384548 0.71 KDM1A (0.45) KDM1AKCNH2KDM1BKMT2AHDAC6
SCHEMBL20244317 0.71 KDM1A (0.45) KDM1AKCNH2KDM1BKMT2AHDAC6
SCHEMBL30509229 0.71 KDM1A (0.45) KDM1AKCNH2KDM1BKMT2AHDAC6
SCHEMBL17396077 0.67 MAOA (0.42) KDM1AIDO1KLKB1
SCHEMBL20596701 0.66 KDM1A (0.55) KDM1AKCNH2KDM1BHDAC8HDAC6
SCHEMBL26991545 0.65 KDM1A (0.53) KDM1AKCNH2KDM1BCYP2C9HDAC8

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 10 patents. 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-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
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-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
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

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 KDM1A 2/4885KCNH2 2447/4885KDM1B 1/4885
US-20180127408-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885KCNH2 2447/4885KDM1B 1/4885
US-10100046-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885KCNH2 2447/4885KDM1B 1/4885
US-20190002456-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885KCNH2 2447/4885KDM1B 1/4885

“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.