SCHEMBL4992139

SCHEMBL4992139

N#Cc1ccccc1S(=O)(=O)N1CCc2c(N)ncnc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.46
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
NR3C1 P04150 1/20 0.41
GBA1 P04062 2/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
CTDSP1 Q9GZU7 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GPR183 P32249 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.36

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
SCHEMBL4988082 0.83 KMT2A (0.55) ALDH1A1PKMJAK2JAK1GAA
SCHEMBL4985357 0.83 CTSG (0.41) KDM4EALDH1A1TSHRNR3C1L3MBTL1
SCHEMBL4986052 0.83 CHRM4 (0.43) TSHRGBA1L3MBTL1KMT2A
SCHEMBL4991988 0.81 ALOX5AP (0.43)
SCHEMBL4988783 0.81 GAA (0.49) KDM4EPKMJAK2JAK1GAA
SCHEMBL4985240 0.81 TRPV4 (0.45)
SCHEMBL4988434 0.81 KMT2A (0.54) ALDH1A1PKMTSHRNR3C1GBA1
SCHEMBL4988452 0.80 MEN1 (0.51) ALDH1A1PKMGAAL3MBTL1KMT2A
SCHEMBL4988098 0.78 LIPE (0.42) JAK2JAK1L3MBTL1KDM2BKMT2A
SCHEMBL4988961 0.77 L3MBTL1 (0.54) ALDH1A1GAATSHRL3MBTL1MAPT

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
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KDM4E 4128/4885ALDH1A1 3640/4885PKM 1098/4885

“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.