SCHEMBL3530886

SCHEMBL3530886

COC(=O)/C=C/c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2cccc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BACE1 P56817 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SNCA P37840 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
TTR P02766 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL4635927 0.88 MAPT (0.44) ALDH1A1MAPTMAPK1L3MBTL1KMT2A
SCHEMBL4635932 0.88 MAPT (0.44) ALDH1A1MAPTMAPK1L3MBTL1KMT2A
SCHEMBL3532565 0.84 ALDH1A1 (0.49) ALDH1A1MAPTBACE1KMT2AMEN1
SCHEMBL3531827 0.82 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL3531657 0.81 KMT2A (0.50) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL3530887 0.81 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1L3MBTL1KMT2A
SCHEMBL3530890 0.81 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1L3MBTL1KMT2A
SCHEMBL3530892 0.81 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1L3MBTL1KMT2A
SCHEMBL8239961 0.77 TTR (0.51) ALDH1A1MAPTBACE1KMT2AMEN1
SCHEMBL3538669 0.75 HTT (0.39) ALDH1A1MAPTMAPK1KMT2AMEN1

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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A ALDH1A1 690/4885MAPT 797/4885MAPK1 780/4885

“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.