SCHEMBL7940761

SCHEMBL7940761

Oc1cc(NCc2ccccc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
NOS2 P35228 1/20 0.49
F2 P00734 2/20 0.48
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 1/20 0.47
FABP1 P07148 1/20 0.47
FABP6 P51161 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL27876840 0.79 F2 (0.51) KDM4ENPC1L3MBTL1GRIN2DGRIN3B
SCHEMBL26706918 0.79 NOS2 (0.57) KDM4ENPC1L3MBTL1GRIN2DGRIN3B
SCHEMBL27893661 0.79 GRIN2D (0.49) KDM4ENPC1L3MBTL1GRIN2DGRIN3B
SCHEMBL10920047 0.79 F2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6761973 0.79 KDM4E (0.57) KDM4ENPC1L3MBTL1GRIN2DGRIN3B
SCHEMBL7013357 0.76 NOS2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14875866 0.75 HDAC6 (0.54)
SCHEMBL18135105 0.74 KDR (0.48) KDM4ENOS2HTTASPHKDM8
SCHEMBL18608757 0.74 CDC7 (0.52) KDM4ENPC1L3MBTL1NOS2FABP1
SCHEMBL2126955 0.74 F2 (0.70) F2FABP1FABP6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3018125-B1 NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR SHIN NIPPON BIOMEDICAL LABORATORIES LTD (JP) 2020-08-05 EP disclosed
US-9745274-B2 Compound, organic cation transporter 3 detection agent, and organic cation transporter 3 activity inhibitor SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2017-08-29 US disclosed
US-9745274-B2 Compound, organic cation transporter 3 detection agent, and organic cation transporter 3 activity inhibitor SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2017-08-29 US disclosed
US-9745274-B2 Compound, organic cation transporter 3 detection agent, and organic cation transporter 3 activity inhibitor SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2017-08-29 US disclosed
US-20160318886-A1 Novel Compound, Organic Cation Transporter 3 Detection Agent, And Organic Cation Transporter 3 Activity Inhibitor SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2016-11-03 US disclosed
US-20160318886-A1 Novel Compound, Organic Cation Transporter 3 Detection Agent, And Organic Cation Transporter 3 Activity Inhibitor SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2016-11-03 US disclosed
US-20160318886-A1 Novel Compound, Organic Cation Transporter 3 Detection Agent, And Organic Cation Transporter 3 Activity Inhibitor SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2016-11-03 US disclosed
EP-3018125-A1 NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR Shin Nippon Biomedical Laboratories, Ltd. (JP) 2016-05-11 EP disclosed
WO-2015002150-A1 NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR 株式会社新日本科学 (JP) 2015-01-08 WO disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 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 (2 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-20160318886-A1 Novel Compound, Organic Cation Transporter 3 Detection Agent, And Organic Cation Transporter 3 Activity Inhibitor SLCO1B3, SLC22A8, SLC10A6 KDM4E 4373/4885NPC1 135/4885L3MBTL1 2428/4885
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 KDM4E 4592/4885NPC1 519/4885L3MBTL1 4865/4885

“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.