SCHEMBL16016558

SCHEMBL16016558

N#Cc1cc(-c2ccccc2)cc(-c2cccc(B(O)O)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.68
ENPP2 Q13822 7/20 0.59
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
PTPN5 P54829 1/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
KAT6A Q92794 2/20 0.39
PLG P00747 1/20 0.38

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
SCHEMBL25160021 0.88 ENPP2 (0.55) MGLLENPP2CA1CA2CA4
SCHEMBL29953646 0.86 ENPP2 (0.79) MGLLENPP2PTPN5XDHSLC22A12
SCHEMBL22484828 0.86 ENPP2 (0.79) MGLLENPP2PTPN5XDHSLC22A12
SCHEMBL12181457 0.86 MGLL (0.91) MGLLENPP2CA1CA2CA4
SCHEMBL16016633 0.85 ENPP2 (0.65) MGLLENPP2CA1CA2PTPN5
SCHEMBL1542734 0.84 MGLL (0.95) MGLLENPP2CA1CA2CA4
SCHEMBL1542869 0.84 MGLL (0.95) MGLLENPP2CA1CA2CA4
SCHEMBL29641494 0.84 MGLL (0.95) MGLLENPP2CA1CA2CA4
SCHEMBL30423063 0.84 MGLL (0.95) MGLLENPP2CA1CA2CA4
SCHEMBL17775874 0.82 PTPN5 (0.49) PTPN5XDHSLC22A12GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230217666-A1 Organic Electroluminescent Element And Novel Iridium Complex UDC IRELAND LTD (IE) 2023-07-06 US disclosed
US-20230217666-A1 Organic Electroluminescent Element And Novel Iridium Complex UDC IRELAND LTD (IE) 2023-07-06 US disclosed
US-20210057666-A1 Organic Electroluminescent Element And Novel Iridium Complex UDC IRELAND LTD (IE) 2021-02-25 US disclosed
US-10854835-B2 Organic electroluminescent element and novel iridium complex UDC IRELAND LIMITED (IE) 2020-12-01 US disclosed
US-10340471-B2 Organic electroluminescent element and novel iridium complex UDC IRELAND LIMITED (IE) 2019-07-02 US disclosed
US-9000421-B2 Organic electroluminescent element, materials for organic electroluminescent element, and light emitting device, display device, or illumination device, each using the element, and compounds used in the element UDC IRELAND LIMITED (IE) 2015-04-07 US disclosed
US-9000421-B2 Organic electroluminescent element, materials for organic electroluminescent element, and light emitting device, display device, or illumination device, each using the element, and compounds used in the element UDC IRELAND LIMITED (IE) 2015-04-07 US disclosed
US-20140252333-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND NOVEL IRIDIUM COMPLEX Alexamdra House, The Sweepstakes (IE) 2014-09-11 US disclosed
US-20140252333-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND NOVEL IRIDIUM COMPLEX Alexamdra House, The Sweepstakes (IE) 2014-09-11 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 (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-10340471-B2 Organic electroluminescent element and novel iridium complex CTCF, AP1M1, CLIC4 MGLL 4263/4885ENPP2 4614/4885CA1 1052/4885
US-20230217666-A1 Organic Electroluminescent Element And Novel Iridium Complex CTCF, AP1M1, CLIC4 MGLL 3890/4885ENPP2 4415/4885CA1 987/4885
US-10854835-B2 Organic electroluminescent element and novel iridium complex CTCF, AP1M1, CLIC4 MGLL 4263/4885ENPP2 4614/4885CA1 1052/4885
US-20210057666-A1 Organic Electroluminescent Element And Novel Iridium Complex CTCF, AP1M1, CLIC4 MGLL 4263/4885ENPP2 4614/4885CA1 1052/4885

“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.