SCHEMBL443877

SCHEMBL443877

Nc1nc(Cl)c(I)cc1I

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.35
NQO1 P15559 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL15330049 0.83 TDP1 (0.34) KHKNQO1TDP1
SCHEMBL24850172 0.83 KHK (0.34) KHKNQO1TDP1
SCHEMBL13906055 0.79 KHK (0.32) KHKTDP1
SCHEMBL1565254 0.79 KHK (0.32) KHK
SCHEMBL30410994 0.79 KHK (0.44) KHK
SCHEMBL23970967 0.79 KHK (0.44) KHK
SCHEMBL20455590 0.79 ALDH1A1 (0.34) KHK
SCHEMBL12682590 0.74 KHK (0.62) KHKTDP1
SCHEMBL19068622 0.74 KHK (0.30) KHK
SCHEMBL3790793 0.72 ALDH1A1 (0.39) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359549-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-06-07 US disclosed
US-9359549-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-06-07 US disclosed
US-20120061654-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES UNIVERSAL DISPLAY CORPORATION (US) 2012-03-15 US disclosed
US-20120061654-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES UNIVERSAL DISPLAY CORPORATION (US) 2012-03-15 US disclosed
WO-2010118029-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES UNIVERSAL DISPLAY CORPORATION (US) 2010-10-14 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 (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-20120061654-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES ZFX, VDAC1, PDCD1LG2 KHK 4614/4885NQO1 1128/4885TDP1 2088/4885

“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.