SCHEMBL1667048

SCHEMBL1667048

Ic1ccc2nc3c4nc5cc(I)ccc5nc4c4nc5cc(I)ccc5nc4c3nc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.37
NOS1 P29475 1/20 0.35
PARP1 P09874 1/20 0.35
NQO2 P16083 4/20 0.35
TYMS P04818 2/20 0.33
CYP2C19 P33261 1/20 0.33
RAD51 Q06609 1/20 0.32
ERN1 O75460 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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 1.00 APP (0.37) APPNOS1PARP1NQO2TYMS
SCHEMBL19213935 0.87 NQO2 (0.55) NQO2MAPTMEN1KMT2AL3MBTL1
SCHEMBL23838584 0.80 TDP1 (0.48) APPNQO2TYMSCYP2C19MAPT
SCHEMBL18617575 0.80 TDP1 (0.50) APPNOS1PARP1NQO2TYMS
SCHEMBL24276928 0.80 MAPT (0.41) NQO2MAPTMEN1NPC1USP2
SCHEMBL13426064 0.77 NQO2 (0.47) APPNQO2CYP2C19MAPTMEN1
SCHEMBL30753426 0.75 KDM4E (0.39) APPNOS1PARP1CYP2C19MAPT
SCHEMBL24465461 0.75 ERBB2 (0.39) APPNOS1PARP1MEN1NPC1
SCHEMBL19432430 0.75 NPC1 (0.53) APPMAPTMEN1NPC1POLB
SCHEMBL29856246 0.74 NQO2 (0.42) APPNQO2CYP2C19ERN1MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3182501-B1 ELECTROLYTE FOR NONAQUEOUS SECONDARY BATTERY AND NONAQUEOUS SECONDARY BATTERY USING THE SAME AIST (JP) 2020-07-15 EP disclosed
US-10340551-B2 Electrolyte for nonaqueous secondary battery and nonaqueous secondary battery using the same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2019-07-02 US disclosed
US-20170229738-A1 ELECTROLYTE FOR NONAQUEOUS SECONDARY BATTERY AND NONAQUEOUS SECONDARY BATTERY USING THE SAME NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2017-08-10 US disclosed
EP-3182501-A1 ELECTROLYTE FOR NONAQUEOUS SECONDARY CELL AND NONAQUEOUS SECONDARY CELL USING SAME National Institute of Advanced Industrial Science and Technology (JP) 2017-06-21 EP disclosed
US-9601705-B2 Material for organic electroluminescence element and organic electroluminescence element using the same, and method for manufacturing organic electroluminescence element UDC IRELAND LIMITED (IE) 2017-03-21 US disclosed
US-9231251-B2 Electrode active material and secondary battery MURATA MANUFACTURING CO., LTD. (JP) 2016-01-05 US disclosed
US-9231251-B2 Electrode active material and secondary battery MURATA MANUFACTURING CO., LTD. (JP) 2016-01-05 US disclosed
US-20130216909-A1 ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY NARD INSTITUTE, LTD. (JP) 2013-08-22 US disclosed
US-20130216909-A1 ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY NARD INSTITUTE, LTD. (JP) 2013-08-22 US disclosed
US-8470198-B2 Mesogenic compounds comprising discotic and calamitic groups MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
EP-2313474-B1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GMBH (DE) 2012-09-05 EP 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-20110147659-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-23 US disclosed
US-20110147659-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-23 US disclosed
US-20110147659-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-23 US disclosed
EP-2313474-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS Merck Patent GmbH (DE) 2011-04-27 EP disclosed
WO-2010020312-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GMBH (DE) 2010-02-25 WO 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

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-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC9A3, SLC18A2, SLC9A2 APP 3488/4885NOS1 3856/4885PARP1 960/4885
US-20110147659-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS CALD1, DIAPH1, CALR APP 3249/4885NOS1 3688/4885PARP1 4533/4885

“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.