SCHEMBL1337893

SCHEMBL1337893

O=[N+]([O-])c1cc(F)ccc1Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.68
TDP1 Q9NUW8 3/20 0.65
ALDH1A1 P00352 3/20 0.65
MAPK1 P28482 3/20 0.65
CASP7 P55210 1/20 0.65
HCAR3 P49019 1/20 0.64
MAPT P10636 5/20 0.62
POLB P06746 1/20 0.62
WNK1 Q9H4A3 1/20 0.58
ALDH3A1 P30838 1/20 0.57
EPAS1 Q99814 1/20 0.54
KCNMA1 Q12791 1/20 0.53
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
GFER P55789 1/20 0.51
MYC P01106 1/20 0.51
IDO1 P14902 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL5496871 0.87 TDP1 (0.65) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL16657380 0.84 ALDH1A1 (0.65) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL13937044 0.84 MAPT (0.63) L3MBTL1TDP1ALDH1A1MAPK1HCAR3
SCHEMBL293916 0.82 MAPT (0.72) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL9943157 0.81 L3MBTL1 (0.70) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL1437915 0.81 HCAR3 (0.68) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL5159865 0.81 L3MBTL1 (0.68) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL4938163 0.81 L3MBTL1 (0.68) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL337857 0.81 L3MBTL1 (0.68) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL31026210 0.81 L3MBTL1 (0.68) L3MBTL1TDP1ALDH1A1MAPK1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063230-B1 Tris(N-aryl benzimidazole)benzenes and their use in electronic devices E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 US disclosed
CN-101600701-A Arylsulfonamide derivatives and methods of use thereof WYETH CORP (US) 2009-12-09 CN disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
EP-1789050-A1 NOVEL QUINOXALINONE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2007-05-30 EP disclosed
WO-2006016278-A1 NOVEL QUINOXALINONE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2006-02-16 WO disclosed
US-20060030566-A1 Novel quinoxalinone norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY, LLC 2006-02-09 US disclosed
EP-0558104-B1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO WELLCOME SPA (IT) 1998-07-29 EP disclosed
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 EP disclosed
US-5637697-A ANTAGONIST TO GASTRIN AND(OR) CHLOROCYSTOKININ GLAXO SPA (IT) 1997-06-10 US disclosed
US-5580895-A GASTROINTESTINAL OR CENTRAL NERVOUS SYSTEM DISORDERS GLAXO SPA (IT) 1996-12-03 US disclosed
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed
EP-0623118-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO S.p.A. (IT) 1994-11-09 EP disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed
WO-1993014074-A1 1,5-BENZODIAZEPINE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 WO disclosed
WO-1993014075-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 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-20060030566-A1 Novel quinoxalinone norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 L3MBTL1 3304/4885TDP1 1150/4885ALDH1A1 612/4885
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 L3MBTL1 4326/4885TDP1 367/4885ALDH1A1 687/4885

“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.