SCHEMBL2249179

SCHEMBL2249179

O=[N+]([O-])c1cc(Br)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 3/20 0.52
CTSB P07858 1/20 0.50
CYP1A2 P05177 2/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
HPGD P15428 1/20 0.46
GRIK1 P39086 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
BLM P54132 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46

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
SCHEMBL15826052 0.89 MAPT (0.48) ALDH1A1CYP3A4CTSBCYP1A2MAPT
SCHEMBL9452645 0.88 ALDH1A1 (0.52) ALDH1A1CYP3A4CTSBCYP1A2MAPT
SCHEMBL27708019 0.83 GPR35 (0.50) ALDH1A1CYP3A4CTSBCYP1A2MAPT
SCHEMBL8002989 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4CTSBMAPTTSHR
SCHEMBL18905090 0.83 TDP1 (0.52) ALDH1A1CYP3A4CTSBCYP1A2MAPT
SCHEMBL2442735 0.83 CYP1A2 (0.53) ALDH1A1CYP3A4CTSBCYP1A2MAPT
SCHEMBL7653551 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4CTSBCYP1A2MAPT
SCHEMBL6026228 0.83 ALDH1A1 (0.44) ALDH1A1CYP3A4CTSBCYP1A2MAPT
SCHEMBL8688932 0.81 TSHR (0.55) ALDH1A1CYP3A4CYP1A2MAPTLMNA
SCHEMBL3179870 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4CTSBCYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994580-B2 Phthalocyanine compound and method of preparing the same, color filter containing phthalocyanine compound, and coloring composition DIC CORPORATION (JP) 2018-06-12 US disclosed
US-9859506-B2 Organic electroluminescent compound and organic photoelectric apparatus thereof Shanghai Tianma AM-OLED Co., Ltd. (CN) 2018-01-02 US disclosed
US-20170327510-A1 PHTHALOCYANINE COMPOUND AND METHOD OF PREPARING THE SAME, COLOR FILTER CONTAINING PHTHALOCYANINE COMPOUND, AND COLORING COMPOSITION DIC CORPORATION (JP) 2017-11-16 US disclosed
US-20170327510-A1 PHTHALOCYANINE COMPOUND AND METHOD OF PREPARING THE SAME, COLOR FILTER CONTAINING PHTHALOCYANINE COMPOUND, AND COLORING COMPOSITION DIC CORPORATION (JP) 2017-11-16 US disclosed
US-20170186972-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC PHOTOELECTRIC APPARATUS THEREOF Shanghai Tianma AM-OLED Co., Ltd. 2017-06-29 US 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-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
CN-105418617-A Organic electroluminescenct compound and organic photoelectric apparatus therewith SHANGHAI TIANMA ORGANIC LIGHT-EMITTING DISPLAY TECH CO LTD 2016-03-23 CN disclosed
US-8809427-B2 Phthalocyanine compound and production method therefor, and coloring composition containing the phthalocyanine compound DIC CORPORATION (JP) 2014-08-19 US disclosed
US-20130033174-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENCE ELEMENT Universal Display Corporation Ireland Limited (UDI) (IE) 2013-02-07 US disclosed
US-20130033174-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENCE ELEMENT Universal Display Corporation Ireland Limited (UDI) (IE) 2013-02-07 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-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
WO-2005123737-A2 CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-12-29 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 (3 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 ALDH1A1 3325/4885CYP3A4 4261/4885CTSB 904/4885
US-20170186972-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC PHOTOELECTRIC APPARATUS THEREOF CCNL2, C1S, CCNE2 ALDH1A1 973/4885CYP3A4 891/4885CTSB 4201/4885
US-20170327510-A1 PHTHALOCYANINE COMPOUND AND METHOD OF PREPARING THE SAME, COLOR FILTER CONTAINING PHTHALOCYANINE COMPOUND, AND COLORING COMPOSITION KMT5C, KMT5B, MAP1LC3C ALDH1A1 3593/4885CYP3A4 3059/4885CTSB 4076/4885

“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.