SCHEMBL852161

SCHEMBL852161

O=c1cc(-c2ccccc2)c2ccc3ccccc3c2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
HPGD P15428 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 3/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 7/20 0.51
KIF11 P52732 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
KCNA3 P22001 1/20 0.44
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
LMNA P02545 1/20 0.43
MCL1 Q07820 1/20 0.42
MAPT P10636 2/20 0.42
MPI P34949 1/20 0.42
CYP1A1 P04798 2/20 0.42

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
SCHEMBL30668529 1.00 KDM4E (0.62) KDM4EHPGDSMN1; SMN2HTTMAPK1
SCHEMBL4010927 0.78 ALDH1A1 (0.56) KDM4EHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL16510570 0.78 KDM4E (0.61) KDM4EHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL28039794 0.77 KDM4E (0.67) KDM4EHPGDSMN1; SMN2HTTMAPK1
SCHEMBL18074031 0.73 KDM4E (0.61) KDM4EHPGDSMN1; SMN2HTTMAPK1
SCHEMBL28133652 0.73 HPGD (1.00) KDM4EHPGDSMN1; SMN2HTTMAPK1
SCHEMBL1173520 0.73 HPGD (1.00) KDM4EHPGDSMN1; SMN2HTTMAPK1
SCHEMBL29612166 0.73 HPGD (1.00) KDM4EHPGDSMN1; SMN2HTTMAPK1
SCHEMBL23530348 0.72 KIF11 (0.59) KDM4EHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL29871305 0.72 CA12 (0.57) KDM4EHPGDSMN1; SMN2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107690436-B Method for forming complexes, complexes and use thereof 庄信万丰股份有限公司 2023-12-22 CN disclosed
EP-3303353-B1 PROCESS JOHNSON MATTHEY PLC (GB) 2022-01-12 EP disclosed
EP-3303353-B1 PROCESS JOHNSON MATTHEY PLC (GB) 2022-01-12 EP disclosed
US-10428098-B2 Processes for preparing and using ruthenium and osmium complexes JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-10-01 US disclosed
US-10428098-B2 Processes for preparing and using ruthenium and osmium complexes JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-10-01 US disclosed
US-20180169641-A1 BENZO[H]QUINOLINE LIGANDS AND COMPLEXES THEREOF JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-06-21 US disclosed
US-20180169641-A1 BENZO[H]QUINOLINE LIGANDS AND COMPLEXES THEREOF JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-06-21 US disclosed
US-20180148465-A1 PROCESS UNIVERSITA DEGLI STUDI DI UDINE (IT) 2018-05-31 US disclosed
US-20180148465-A1 PROCESS UNIVERSITA DEGLI STUDI DI UDINE (IT) 2018-05-31 US disclosed
WO-2016193761-A1 BENZO[H]QUINOLINE LIGANDS AND COMPLEXES THEREOF JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2016-12-08 WO disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
CN-102379872-A Compounds, compositions and methods of inhibiting a-synuclein toxicity WHITEHEAD BIOMEDICAL INST 2012-03-21 CN disclosed
EP-1802303-B1 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD BIOMEDICAL INST (US) 2011-11-02 EP disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
CN-101060839-A Compounds, compositions and methods for inhibiting alpha-synuclein toxicity WHITEHEAD BIOMEDICAL INST (US) 2007-10-24 CN disclosed
EP-1802303-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2007-07-04 EP disclosed
WO-2006034003-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2006-03-30 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-20180169641-A1 BENZO[H]QUINOLINE LIGANDS AND COMPLEXES THEREOF BRD4, NQO1, NQO2 KDM4E 1627/4885HPGD 873/4885SMN1; SMN2 4777/4885
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT KDM4E 1289/4885HPGD 2441/4885SMN1; SMN2 41/4885
US-10428098-B2 Processes for preparing and using ruthenium and osmium complexes OSTC, OTC, ORC3 KDM4E 4260/4885HPGD 2184/4885SMN1; SMN2 4599/4885
US-20180148465-A1 PROCESS OSTC, AP2S1, LGALS4 KDM4E 3554/4885HPGD 2772/4885SMN1; SMN2 4504/4885

“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.