SCHEMBL4057047

SCHEMBL4057047

Cc1c(F)cccc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CASP7 P55210 1/20 0.54
MAPT P10636 4/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
EPAS1 Q99814 1/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL3571014 0.85 MAPK1 (0.62) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL11004175 0.84 MEN1 (0.64) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL4054385 0.84 MAPK1 (0.57) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL4057190 0.82 MAPK1 (0.59) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL30462446 0.81 MAPK1 (0.54) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL397773 0.81 MAPK1 (0.77) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL1126856 0.79 TDP1 (0.72) MAPK1TDP1L3MBTL1ALDH1A1MAPT
SCHEMBL30563091 0.79 TDP1 (0.72) MAPK1TDP1L3MBTL1ALDH1A1MAPT
SCHEMBL22583718 0.79 MAPK1 (0.51) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL4055339 0.78 MAPK1 (0.62) 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
CN-101600701-A Arylsulfonamide derivatives and methods of use thereof WYETH CORP (US) 2009-12-09 CN disclosed
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 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.