SCHEMBL4942171

SCHEMBL4942171

O=[N+]([O-])c1ccccc1Nc1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
TDP1 Q9NUW8 3/20 0.68
MAPK1 P28482 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
CASP7 P55210 1/20 0.68
EPAS1 Q99814 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 2/20 0.56
PKM P14618 1/20 0.56
ARNT P27540 1/20 0.51
HCAR3 P49019 1/20 0.48
POLB P06746 2/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 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
SCHEMBL7167600 0.89 TDP1 (0.79) ALDH1A1TDP1MAPK1L3MBTL1CASP7
SCHEMBL2508753 0.88 EPAS1 (0.52) ALDH1A1TDP1MAPK1L3MBTL1CASP7
SCHEMBL4064297 0.87 EPAS1 (0.81) ALDH1A1TDP1MAPK1L3MBTL1CASP7
SCHEMBL26468007 0.87 TDP1 (0.77) ALDH1A1TDP1MAPK1L3MBTL1CASP7
SCHEMBL7168043 0.84 TDP1 (0.72) ALDH1A1TDP1MAPK1L3MBTL1CASP7
SCHEMBL30379894 0.82 ALDH1A1 (0.74) ALDH1A1TDP1MAPK1L3MBTL1CASP7
SCHEMBL1337891 0.82 ALDH1A1 (0.74) ALDH1A1TDP1MAPK1L3MBTL1CASP7
SCHEMBL31333098 0.81 TDP1 (1.00) ALDH1A1TDP1MAPK1L3MBTL1CASP7
SCHEMBL230292 0.81 TDP1 (1.00) ALDH1A1TDP1MAPK1L3MBTL1CASP7
SCHEMBL4057290 0.81 L3MBTL1 (0.68) ALDH1A1TDP1MAPK1L3MBTL1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 612/4885TDP1 1150/4885MAPK1 1902/4885
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 ALDH1A1 687/4885TDP1 367/4885MAPK1 1634/4885

“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.