SCHEMBL4064297

SCHEMBL4064297

O=[N+]([O-])c1ccccc1Nc1cc(F)cc(F)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 7/20 0.81
ALDH1A1 P00352 5/20 0.67
MAPK1 P28482 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
CASP7 P55210 1/20 0.67
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 3/20 0.59
GAA P10253 2/20 0.59
PKM P14618 1/20 0.59
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
ARNT P27540 1/20 0.47
HCAR3 P49019 1/20 0.47
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45

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
SCHEMBL18055783 0.90 EPAS1 (1.00) EPAS1ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL4942171 0.87 ALDH1A1 (0.68) EPAS1ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL1337891 0.85 ALDH1A1 (0.74) EPAS1ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL30379894 0.85 ALDH1A1 (0.74) EPAS1ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL2507274 0.83 EPAS1 (0.58) EPAS1ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL11506844 0.82 ALDH1A1 (0.89) EPAS1ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL3607111 0.82 EPAS1 (0.61) EPAS1ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL7167600 0.81 TDP1 (0.79) EPAS1ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL3609055 0.81 EPAS1 (0.63) EPAS1ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL31333098 0.80 TDP1 (1.00) EPAS1ALDH1A1MAPK1TDP1L3MBTL1

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 EPAS1 1073/4885ALDH1A1 687/4885MAPK1 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.