SCHEMBL4617110

SCHEMBL4617110

O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCCc2ccccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NPC1 O15118 1/20 0.43
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL29451495 0.87 L3MBTL1 (0.64) L3MBTL1ALDH1A1MAPTKDM4EPKM
SCHEMBL29451986 0.87 L3MBTL1 (0.52) L3MBTL1ALDH1A1MAPTKDM4EPKM
SCHEMBL29451450 0.87 POLB (0.55) L3MBTL1ALDH1A1MAPTKDM4EPKM
SCHEMBL29451717 0.84 MAPT (0.53) L3MBTL1ALDH1A1MAPTKDM4EPKM
SCHEMBL29451535 0.84 L3MBTL1 (0.49) L3MBTL1ALDH1A1MAPTKDM4EPKM
SCHEMBL4618419 0.84 L3MBTL1 (0.49) L3MBTL1ALDH1A1MAPTKDM4EPKM
SCHEMBL29452201 0.84 L3MBTL1 (0.49) L3MBTL1ALDH1A1MAPTKDM4EPKM
SCHEMBL4616183 0.82 RAB9A (0.53) L3MBTL1ALDH1A1MAPTKDM4EPKM
SCHEMBL4615532 0.81 KDM4E (0.49) ALDH1A1MAPTKDM4EPKMRAB9A
SCHEMBL29451560 0.81 KDM4E (0.49) ALDH1A1MAPTKDM4EPKMRAB9A

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
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 WO disclosed
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 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-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 L3MBTL1 4156/4885ALDH1A1 1865/4885MAPT 4680/4885

“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.