SCHEMBL1880384

SCHEMBL1880384

FC(F)(F)c1ccc(-c2cccc3scnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.46
ENPP1 P22413 2/20 0.43
TOP1 P11387 3/20 0.40
KIF11 P52732 2/20 0.39
JAK2 O60674 1/20 0.37
CLK1 P49759 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL1883479 0.81 NAMPT (0.41) NAMPTENPP1ALDH1A1HSD17B10
SCHEMBL12637453 0.80 NAMPT (0.47) NAMPTENPP1MEN1NPC1RAB9A
SCHEMBL926871 0.80 NAMPT (0.46) NAMPTENPP1KDM4EALDH1A1HSD17B10
SCHEMBL12637454 0.79 NAMPT (0.44) NAMPTALDH1A1HSD17B10
SCHEMBL24155552 0.79 NAMPT (0.46) NAMPTKMT2AALDH1A1HSD17B10
SCHEMBL27712078 0.79 NAMPT (0.46) NAMPTJAK2MEN1NPC1RAB9A
SCHEMBL1876379 0.79 NAMPT (0.46) NAMPTENPP1POLBMEN1NPC1
SCHEMBL20379558 0.79 NAMPT (0.46) NAMPTMEN1NPC1RAB9AKMT2A
SCHEMBL28071986 0.76 NAMPT (0.50) NAMPTNPC1KDM4EALDH1A1HSD17B10
SCHEMBL12637455 0.76 CYP3A4 (0.39) MAOBMAOAALDH1A1CYP1A2CYP2C19

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-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 US disclosed
US-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 US disclosed
US-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 US disclosed
WO-2007078182-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME INDUSTRY-UNIVERSITY COOPERATION FOUNDATION, HANYANG UNIVERSITY (KR) 2007-07-12 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-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SCO2, RPS4Y1, RER1 NAMPT 2797/4885ENPP1 2859/4885TOP1 3732/4885

“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.