SCHEMBL4940284

SCHEMBL4940284

Cc1cccc(Nc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
ALDH1A1 P00352 3/20 0.68
MAPK1 P28482 2/20 0.68
CASP7 P55210 1/20 0.68
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
FBP1 P09467 1/20 0.53
LMNA P02545 2/20 0.53
EPAS1 Q99814 1/20 0.52
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 4/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL7167600 0.89 TDP1 (0.79) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL16767959 0.88 L3MBTL1 (0.60) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL12786875 0.88 FBP1 (0.59) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL26468007 0.87 TDP1 (0.77) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL7168043 0.84 TDP1 (0.72) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL27434871 0.84 MEN1 (0.68) TDP1L3MBTL1ALDH1A1MAPK1MEN1
SCHEMBL2327163 0.82 L3MBTL1 (0.56) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL14247885 0.82 FBP1 (0.55) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL497223 0.82 MAPK1 (0.74) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL230292 0.81 TDP1 (1.00) TDP1L3MBTL1ALDH1A1MAPK1CASP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 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 TDP1 367/4885L3MBTL1 4326/4885ALDH1A1 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.