SCHEMBL16401059

SCHEMBL16401059

COC(=O)c1cccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
EED O75530 1/20 0.45
RBBP4 Q09028 1/20 0.45
SUZ12 Q15022 1/20 0.45
EZH2 Q15910 1/20 0.45
AEBP2 Q6ZN18 1/20 0.45
PARP1 P09874 3/20 0.45
BRD4 O60885 1/20 0.45
BTK Q06187 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
EPHX1 P07099 1/20 0.44
STS P08842 1/20 0.43
BACE1 P56817 1/20 0.43
PTPN2 P17706 1/20 0.43

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
SCHEMBL27262196 0.86 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL69769 0.82 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL27262169 0.81 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL11913044 0.81 ALDH1A1 (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL14525000 0.81 ALDH1A1 (0.57) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL29198209 0.80 ALDH1A1 (0.54) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL13280329 0.80 KDM4E (0.56) ALDH1A1MAPTSTSKDM4E
SCHEMBL377477 0.80 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL13277341 0.80 ALDH1A1 (0.51) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL29744615 0.78 ALDH1A1 (0.63) ALDH1A1NPC1MAPTMAPK1HTT

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-20160122342-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-05 US disclosed
US-20160122342-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-05 US disclosed
US-20160122342-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-05 US disclosed
EP-3004096-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-04-13 EP disclosed
WO-2014195919-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-12-11 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 (1 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-20160122342-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, BMI1, EZH1 ALDH1A1 2517/4885NPC1 2126/4885MAPT 3355/4885

“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.