SCHEMBL2652910

SCHEMBL2652910

O=C(O)c1cc([N+](=O)[O-])ccc1OC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
CTSV O60911 2/20 0.50
CTSL P07711 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SERPINE1 P05121 2/20 0.47
TP53 P04637 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNK2 O95069 1/20 0.45
KCNK10 P57789 1/20 0.45
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
MPO P05164 1/20 0.44
MEN1 O00255 3/20 0.44

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
SCHEMBL16950726 0.85 AKR1C3 (0.44) AKR1C3AKR1C2ALDH1A1MAPTCTSV
SCHEMBL2647221 0.84 AKR1C3 (0.47) AKR1C3AKR1C2ALDH1A1MAPTCTSV
SCHEMBL17182678 0.82 AKR1C3 (0.43) AKR1C3AKR1C2ALDH1A1MAPTCTSV
SCHEMBL20679607 0.81 AKR1C3 (0.52) AKR1C3AKR1C2ALDH1A1MAPTCYP3A4
SCHEMBL20679615 0.81 AKR1C3 (0.52) AKR1C3AKR1C2ALDH1A1MAPTCYP3A4
SCHEMBL9367150 0.80 AKR1C3 (0.50) AKR1C3AKR1C2ALDH1A1MAPTTDP1
SCHEMBL16961001 0.80 ALDH1A1 (0.43) AKR1C3AKR1C2ALDH1A1MAPTTDP1
SCHEMBL1612471 0.80 AKR1C3 (0.44) AKR1C3AKR1C2ALDH1A1MAPTCYP3A4
SCHEMBL725163 0.80 ALDH1A1 (0.54) ALDH1A1MAPTCTSVCTSLCYP3A4
SCHEMBL8431994 0.80 GPR35 (0.51) AKR1C3AKR1C2ALDH1A1MAPTALOX15

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-1551793-B1 TETRAFLUOROBENZYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ACUTE AND CHRONIC NEURODEGENERATIVE DISEASES IN CENTRAL NERVOUS SYSTEM CONTAINING THE SAME AMKOR PHARMA INC (US) 2016-01-20 EP disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
US-7511074-B2 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same AMKOR PHARMA, INC. (US) 2009-03-31 US disclosed
US-20080227859-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same AMKOR PHARMA, INC. (US) 2008-09-18 US disclosed
US-7371896-B2 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same AMKOR PHARMA, INC. (US) 2008-05-13 US disclosed
US-7319160-B2 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same AMKOR PHARMA, INC. (US) 2008-01-15 US disclosed
US-20070078183-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same NEUROTECH CO., LTD. (KR) 2007-04-05 US disclosed
EP-1551793-A4 TETRAFLUOROBENZYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ACUTE AND CHRONIC NEURODEGENERATIVE DISEASES IN CENTRAL NERVOUS SYSTEM CONTAINING THE SAME NEUROTECH CO LTD (KR) 2007-04-04 EP disclosed
US-7189878-B2 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same NEUROTECH CO., LTD. (KR) 2007-03-13 US disclosed
US-20060235239-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same NEUROTECH CO., LTD. (KR) 2006-10-19 US disclosed
US-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US disclosed
US-6927303-B2 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same NEUROTECH CO., LTD. (KR) 2005-08-09 US disclosed
EP-1551793-A1 TETRAFLUOROBENZYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ACUTE AND CHRONIC NEURODEGENERATIVE DISEASES IN CENTRAL NERVOUS SYSTEM CONTAINING THE SAME Neurotech Co., Ltd. (KR) 2005-07-13 EP disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
US-20040209957-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2004-10-21 US disclosed
WO-2004000786-A1 TETRAFLUOROBENZYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ACUTE AND CHRONIC NEURODEGENERATIVE DISEASES IN CENTRAL NERVOUS SYSTEM CONTAINING THE SAME NEUROTECH CO., LTD. (KR) 2003-12-31 WO disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 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 (7 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-20070078183-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same HTT, BDNF, APP AKR1C3 1291/4885AKR1C2 1600/4885ALDH1A1 1111/4885
US-20080227859-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same HTT, BDNF, APP AKR1C3 1291/4885AKR1C2 1600/4885ALDH1A1 1111/4885
US-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR AKR1C3 2513/4885AKR1C2 1473/4885ALDH1A1 3968/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR AKR1C3 2513/4885AKR1C2 1473/4885ALDH1A1 3968/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR AKR1C3 2513/4885AKR1C2 1473/4885ALDH1A1 3968/4885
US-20060235239-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same HTT, BDNF, APP AKR1C3 1291/4885AKR1C2 1600/4885ALDH1A1 1111/4885
US-20040209957-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same HTT, BDNF, APP AKR1C3 1291/4885AKR1C2 1600/4885ALDH1A1 1111/4885

“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.