SCHEMBL4945790

SCHEMBL4945790

Cc1cccc(Nc2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
MAPK1 P28482 5/20 0.53
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CASP7 P55210 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.50
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
NFKBIA P25963 1/20 0.47
RELA Q04206 1/20 0.47
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
EPAS1 Q99814 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
SCHEMBL28857804 0.82 MAPK1 (0.53) MAPTMAPK1ALDH1A1TDP1CASP7
SCHEMBL28492481 0.79 ALDH1A1 (0.53) MAPTMAPK1ALDH1A1TDP1CASP7
SCHEMBL11554972 0.78 GRM5 (0.58) MAPTMAPK1L3MBTL1MEN1KMT2A
SCHEMBL28672316 0.78 MAPT (0.54) MAPTMAPK1ALDH1A1TDP1CASP7
SCHEMBL10124752 0.78 MAPT (0.53) MAPTMAPK1ALDH1A1TDP1CASP7
SCHEMBL23579274 0.77 ALDH1A1 (0.51) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL29974832 0.77 ALDH1A1 (0.51) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL29744982 0.76 MEN1 (0.71) MAPTMAPK1ALDH1A1TDP1CASP7
SCHEMBL4810409 0.76 MEN1 (0.71) MAPTMAPK1ALDH1A1TDP1CASP7
SCHEMBL397773 0.76 MAPK1 (0.77) MAPTMAPK1ALDH1A1TDP1CASP7

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 2 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
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 MAPT 97/4885MAPK1 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.