SCHEMBL4064354

SCHEMBL4064354

O=[N+]([O-])c1ccccc1Nc1cc(F)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.59
MAPK1 P28482 5/20 0.54
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
CASP7 P55210 1/20 0.54
ATM Q13315 1/20 0.50
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
PKM P14618 1/20 0.49
POLB P06746 1/20 0.47
KCNMA1 Q12791 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HSPB1 P04792 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 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
SCHEMBL11901762 0.88 TDP1 (0.54) EPAS1MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL4940492 0.88 EPAS1 (0.56) EPAS1MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL30615510 0.88 EPAS1 (0.56) EPAS1MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL3571014 0.85 MAPK1 (0.62) EPAS1MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL4939342 0.82 EPAS1 (0.60) EPAS1MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL4945081 0.82 MAPT (0.64) EPAS1MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL30615696 0.82 MAPT (0.64) EPAS1MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL21248588 0.81 AKR1C3 (0.58) EPAS1MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL397773 0.81 MAPK1 (0.77) EPAS1MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL4056578 0.79 MAPK1 (0.56) EPAS1MAPK1ALDH1A1TDP1L3MBTL1

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 1073/4885MAPK1 1634/4885ALDH1A1 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.