SCHEMBL2189376

SCHEMBL2189376

CCCCCCCCn1cc(-c2ccccc2)nn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 13/20 0.61
HDAC6 Q9UBN7 12/20 0.61
HDAC2 Q92769 9/20 0.61
HDAC3 O15379 8/20 0.61
HDAC4 P56524 8/20 0.61
HDAC1 Q13547 8/20 0.61
HDAC7 Q8WUI4 8/20 0.61
HDAC10 Q969S8 8/20 0.61
HDAC11 Q96DB2 8/20 0.61
HDAC9 Q9UKV0 8/20 0.61
HDAC5 Q9UQL6 8/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
NAMPT P43490 1/20 0.56
CYP19A1 P11511 1/20 0.55
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TLR8 Q9NR97 1/20 0.52

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
SCHEMBL16271201 1.00 HDAC8 (0.61) HDAC8HDAC6HDAC2HDAC3HDAC4
SCHEMBL4224259 1.00 HDAC8 (0.61) HDAC8HDAC6HDAC2HDAC3HDAC4
Bromide SCHEMBL1890168 0.98 HDAC8 (0.60) HDAC8HDAC6HDAC2HDAC3HDAC4
Bromide SCHEMBL1889733 0.98 HDAC8 (0.60) HDAC8HDAC6HDAC2HDAC3HDAC4
Bromide SCHEMBL1881301 0.98 HDAC8 (0.60) HDAC8HDAC6HDAC2HDAC3HDAC4
Bromide SCHEMBL1883444 0.98 HDAC8 (0.60) HDAC8HDAC6HDAC2HDAC3HDAC4
SCHEMBL9991081 0.98 HDAC8 (0.60) HDAC8HDAC6HDAC2HDAC3HDAC4
Bromide SCHEMBL1888885 0.97 L3MBTL1 (0.59) HDAC8HDAC6HDAC2HDAC3HDAC4
SCHEMBL12022150 0.94 CYP19A1 (0.58) HDAC8HDAC6HDAC2HDAC3HDAC4
SCHEMBL12022152 0.87 CYP19A1 (0.62) HDAC8HDAC6HDAC2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112275322-B Preparation method and application of supported CNTs @ NHC-Cu catalytic material 中国科学院兰州化学物理研究所 2022-01-25 CN disclosed
US-20210163568-A1 AZIDE INSULIN ANALOGUES MERCK SHARP & DOHME CORP. (US) 2021-06-03 US disclosed
CN-112275322-A Preparation method and application of supported CNTs @ NHC-Cu catalytic material 中国科学院兰州化学物理研究所 2021-01-29 CN disclosed
US-9375705-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2016-06-28 US disclosed
US-8877676-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-11-04 US disclosed
US-8877676-B2 Heterogeneous copper nanocatalyst and manufacturing methods thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-11-04 US disclosed
US-20140302984-A1 HETEROGENEOUS COPPER NANOCATALYST AND MANUFACTURING METHODS THEREOF POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2014-10-09 US disclosed
US-8563738-B2 Ligands for copper-catalyzed azide-alkyne cycloaddition reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-22 US disclosed
US-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2011-07-14 US disclosed
US-20100197871-A1 LIGANDS FOR COPPER-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2010-08-05 US disclosed
WO-2009038685-A1 LIGANDS FOR COPPER-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-26 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-20210163568-A1 AZIDE INSULIN ANALOGUES IAPP, INSR, GPR119 HDAC8 3703/4885HDAC6 3374/4885HDAC2 4750/4885
US-20110172417-A1 Heterogeneous Copper Nanocatalyst and Manufacturing Methods Thereof AOC3, AOC2, USP13 HDAC8 4688/4885HDAC6 2486/4885HDAC2 3765/4885
US-20100197871-A1 LIGANDS FOR COPPER-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS AOC2, AOC1, AOC3 HDAC8 3905/4885HDAC6 3697/4885HDAC2 2186/4885

“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.