SCHEMBL2168565

SCHEMBL2168565

O=C(O)c1nc(C(F)(F)F)c(C(=O)O)nc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DAO P14920 1/20 0.35
PIN1 Q13526 1/20 0.33
GAA P10253 1/20 0.32
ASPH Q12797 2/20 0.31
HCAR2 Q8TDS4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SRD5A2 P31213 1/20 0.31
CFTR P13569 2/20 0.31
CES1 P23141 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
GLA P06280 1/20 0.31
KDM8 Q8N371 1/20 0.30
XPO1 O14980 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
SCHEMBL12405045 0.87 PIN1 (0.34) ALDH1A1MAPTSMN1; SMN2PIN1HCAR2
SCHEMBL2371668 0.84 PLAU (0.36) ALDH1A1MAPTSMN1; SMN2ASPHTDP1
SCHEMBL23012588 0.80 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL31660292 0.75 AGBL2 (0.39) ALDH1A1MAPTSMN1; SMN2PIN1GAA
SCHEMBL14783292 0.74 TDP1 (0.46) ALDH1A1MAPTSMN1; SMN2GAATDP1
SCHEMBL2372260 0.74 CFTR (0.38) ALDH1A1TDP1CFTRKDM4EHTT
SCHEMBL29699348 0.74 CFTR (0.38) ALDH1A1TDP1CFTRKDM4EHTT
SCHEMBL31214039 0.73 GFER (0.36) ALDH1A1MAPTSMN1; SMN2PIN1HCAR2
SCHEMBL30779709 0.73 KDM4E (0.44) ALDH1A1MAPTASPHHCAR2KDM4E
SCHEMBL630383 0.73 KDM4E (0.44) ALDH1A1MAPTASPHHCAR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000157-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-07 US disclosed
US-9000157-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-07 US disclosed
US-20110184170-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD (KR) 2011-07-28 US disclosed
US-20110184170-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD (KR) 2011-07-28 US disclosed
US-7858783-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-12-28 US disclosed
US-7858783-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-12-28 US disclosed
US-7858783-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-12-28 US disclosed
US-20080269484-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-10-30 US disclosed
US-20080269484-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-10-30 US disclosed
US-20080269484-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD., (KR) 2008-10-30 US disclosed
WO-2007078179-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 (2 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-20080269484-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same ROS1, MT-CO1, RER1 ALDH1A1 121/4885MAPT 2747/4885SMN1; SMN2 1962/4885
US-20110184170-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME MT-CO1, ROS1, OXA1L ALDH1A1 80/4885MAPT 2717/4885SMN1; SMN2 2190/4885

“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.