SCHEMBL4062425

SCHEMBL4062425

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CASP7 P55210 1/20 0.57
EPAS1 Q99814 1/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.48
AKR1C3 P42330 4/20 0.46
AKR1C2 P52895 4/20 0.46
AKR1C4 P17516 3/20 0.46
AKR1C1 Q04828 3/20 0.46
AKR1B1 P15121 2/20 0.46
EPHX2 P34913 1/20 0.45
FBP1 P09467 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL11122331 0.89 MAPK1 (0.54) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL3918265 0.85 MAPK1 (0.62) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL1921306 0.83 EPHX2 (0.56) ALDH1A1MAPTGAAHPGDEPHX2
SCHEMBL16429768 0.83 L3MBTL1 (0.58) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL3919771 0.82 TDP1 (0.67) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL4947225 0.82 MAPT (0.67) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL3494240 0.81 AKR1C3 (0.57) MAPK1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7167600 0.81 TDP1 (0.79) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL13730771 0.80 MAPT (0.50) MAPK1L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL26468007 0.80 TDP1 (0.77) MAPK1TDP1L3MBTL1ALDH1A1CASP7

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 4 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
US-4311710-A Anticoccidial formulation and method ELI LILLY AND COMPANY (US) 1982-01-19 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 (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 MAPK1 1634/4885TDP1 367/4885L3MBTL1 4326/4885

“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.