SCHEMBL4055608

SCHEMBL4055608

O=[N+]([O-])c1cccc(F)c1Nc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
MAPT P10636 5/20 0.49
MAPK1 P28482 7/20 0.49
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CASP7 P55210 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
EPAS1 Q99814 1/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
KAT2B Q92831 2/20 0.43
CXCR2 P25025 1/20 0.41

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
SCHEMBL4057190 0.88 MAPK1 (0.59) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL3602490 0.84 ATM (0.51) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL3571014 0.84 MAPK1 (0.62) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL20475343 0.84 KDM4E (0.55) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL4947111 0.83 CXCR2 (0.58) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11734886 0.81 MAPT (0.55) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL16634619 0.79 HCAR3 (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL16634621 0.79 HCAR3 (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4725240 0.77 TDP1 (0.48) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL29132707 0.77 GPR35 (0.48) MEN1KMT2AMAPTMAPK1ALDH1A1

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 3 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

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 MEN1 4156/4885KMT2A 1555/4885MAPT 97/4885

“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.