SCHEMBL2249352

SCHEMBL2249352

Ic1cc2nc3c4nc5cc(I)c(I)cc5nc4c4nc5cc(I)c(I)cc5nc4c3nc2cc1I

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 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
SCHEMBL2035725 0.71 APP (0.37)
SCHEMBL2246568 0.67 PIK3R1 (0.41) NQO1
SCHEMBL11995959 0.67 ACHE (0.43) NQO1
SCHEMBL2245783 0.67 NQO2 (0.52)
SCHEMBL2252791 0.67 ALOX15 (0.35) NQO1
SCHEMBL2246917 0.67 NQO2 (0.57)
SCHEMBL20252802 0.67 HDAC8 (0.35)
SCHEMBL797261 0.65 TTR (0.33)
SCHEMBL12355727 0.65 NQO1 (0.38) NQO1
SCHEMBL29895057 0.65 PTPN11 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994423-B2 Charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-08-09 US disclosed
US-7994423-B2 Charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-08-09 US disclosed
US-7994423-B2 Charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-08-09 US disclosed
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2009-03-12 US disclosed
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2009-03-12 US disclosed
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2009-03-12 US disclosed
WO-2005123737-A9 CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF TY OF ARIZONA ARIZONA BOARD OF (US) 2006-04-06 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 (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-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC9A3, SLC18A2, SLC9A2 NQO1 877/4885

“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.