SCHEMBL4055027

SCHEMBL4055027

O=[N+]([O-])c1ccccc1Nc1ccccc1OC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.53
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CASP7 P55210 1/20 0.53
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
EPAS1 Q99814 1/20 0.45
RAB9A P51151 3/20 0.44
EPHX2 P34913 1/20 0.44
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43

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
SCHEMBL11365306 0.87 MAPK1 (0.49) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL6112961 0.82 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1MAPTMEN1
SCHEMBL29469206 0.82 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1MAPTMEN1
SCHEMBL3192934 0.82 EPHX2 (0.57) ALDH1A1MAPTGAARAB9AEPHX2
SCHEMBL397773 0.80 MAPK1 (0.77) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL8160321 0.80 MEN1 (0.63) L3MBTL1MAPTMEN1KMT2AGAA
SCHEMBL30819288 0.80 L3MBTL1 (0.68) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL4940856 0.80 L3MBTL1 (0.68) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL3918265 0.79 MAPK1 (0.62) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL4062425 0.79 MAPK1 (0.57) MAPK1ALDH1A1TDP1L3MBTL1CASP7

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 1634/4885ALDH1A1 687/4885TDP1 367/4885

“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.