SCHEMBL4057290

SCHEMBL4057290

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.68
TDP1 Q9NUW8 3/20 0.68
MAPK1 P28482 2/20 0.68
ALDH1A1 P00352 1/20 0.68
CASP7 P55210 1/20 0.68
EPAS1 Q99814 2/20 0.68
MAPT P10636 4/20 0.64
GAA P10253 2/20 0.64
KDM4E B2RXH2 1/20 0.64
GSK3B P49841 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PKM P14618 1/20 0.56
FADS1 O60427 1/20 0.54
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
ARNT P27540 1/20 0.51
CRHR1 P34998 1/20 0.48

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) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL8886340 0.88 L3MBTL1 (0.61) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL26468007 0.87 TDP1 (0.77) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL7168043 0.84 TDP1 (0.72) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL247794 0.82 L3MBTL1 (0.74) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL4717840 0.81 ALDH1A1 (0.70) L3MBTL1ALDH1A1EPAS1MAPTGAA
SCHEMBL28887269 0.81 L3MBTL1 (0.55) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL230292 0.81 TDP1 (1.00) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL31333098 0.81 TDP1 (1.00) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL4942171 0.81 ALDH1A1 (0.68) L3MBTL1TDP1MAPK1ALDH1A1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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 (1 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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 L3MBTL1 4326/4885TDP1 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.