SCHEMBL16623856

SCHEMBL16623856

c1ccc2c(c1)C1c3ccccc3-n3cccc3N1c1cccn1-2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.35
PTPN2 P17706 1/20 0.35
ACHE P22303 4/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GSK3B P49841 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL16623862 0.69 ADRA2A (0.33) PTPN1PTPN2ACHE
SCHEMBL3243713 0.65 PTPN1 (0.46) PTPN1PTPN2L3MBTL1
SCHEMBL16623699 0.63 PTPN1 (0.44) PTPN1PTPN2POLBL3MBTL1
SCHEMBL16623840 0.63 PTPN1 (0.44) PTPN1PTPN2L3MBTL1
SCHEMBL16623702 0.62 GPR3 (0.50) POLBALOX15
SCHEMBL1310771 0.62 PTPN1 (0.42) PTPN1PTPN2L3MBTL1
SCHEMBL20829244 0.61 HTR3E (0.39) PTPN1PTPN2POLBAPEX1TDP1
SCHEMBL20829260 0.61 HTR3E (0.40) PTPN1PTPN2GSK3B
SCHEMBL16623776 0.58 ALDH1A1 (0.38) TDP1
SCHEMBL16623809 0.57 GPR3 (0.44) POLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 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 (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-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 PTPN1 601/4885PTPN2 514/4885ACHE 1331/4885

“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.