SCHEMBL16865684

SCHEMBL16865684

c1ccc(-c2ccc(C3=NCCc4sccc43)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.50
MAPK10 P53779 1/20 0.40
BCAT2 O15382 1/20 0.37
NISCH Q9Y2I1 1/20 0.35
PTGS2 P35354 2/20 0.35
NR1I2 O75469 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDE4D Q08499 1/20 0.35
PDPK1 O15530 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33

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
SCHEMBL17807492 0.97 NOS2 (0.53) NOS2MAPK10BCAT2PTGS2NR1I2
SCHEMBL12158615 0.83 NOS2 (0.50) NOS2MAPK10NISCHPTGS2ALDH1A1
SCHEMBL17807494 0.83 NOS2 (0.50) NOS2MAPK10PTGS2ALDH1A1LMNA
SCHEMBL16866585 0.81 MAPK10 (0.49) NOS2MAPK10NISCHSLC6A3ALDH1A1
SCHEMBL31344191 0.80 NOS2 (0.46) NOS2NISCHCHRM1NPSR1
SCHEMBL12158623 0.80 NOS2 (0.46) NOS2NISCHADRA1AALDH1A1LMNA
SCHEMBL20912486 0.78 MAPK10 (0.49) NOS2MAPK10NISCHCHRNB4CHRNA3
SCHEMBL12174623 0.75 NISCH (0.45) NOS2NISCH
SCHEMBL16866584 0.73 NOS2 (0.46) NOS2NISCHHTR2CSLC6A3LMNA
SCHEMBL12158625 0.73 KDM4E (0.40) NOS2NISCHPTGS2ADORA3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160164007-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2016-06-09 US disclosed
US-20160164007-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2016-06-09 US disclosed
US-20150188060-A1 ORGANOMETALLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICES EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-07-02 US disclosed
US-20150188060-A1 ORGANOMETALLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICES EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-07-02 US 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-20160164007-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME C5, C9, C1S NOS2 1101/4885MAPK10 2208/4885BCAT2 1204/4885
US-20150188060-A1 ORGANOMETALLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICES EMPLOYING THE SAME DDT, DDC, BMI1 NOS2 724/4885MAPK10 2735/4885BCAT2 71/4885

“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.