SCHEMBL3530892

SCHEMBL3530892

CC(=Cc1ccc([N+](=O)[O-])c(CS(=O)(=O)c2cccc3ccccc23)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 4/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
AKR1C3 P42330 1/20 0.36
NPY5R Q15761 1/20 0.35

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
SCHEMBL3530887 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AATMHTTPOLB
SCHEMBL3530890 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AATMHTTPOLB
SCHEMBL3532566 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AATMHTTPOLB
SCHEMBL3532567 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AATMHTTPOLB
SCHEMBL4635927 0.84 MAPT (0.44) ALDH1A1KMT2AATMHTTPOLB
SCHEMBL4635932 0.84 MAPT (0.44) ALDH1A1KMT2AATMHTTPOLB
SCHEMBL3531827 0.83 ALDH1A1 (0.42) ALDH1A1KMT2AHTTPOLBMAPT
SCHEMBL3530886 0.81 ALDH1A1 (0.46) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL3534757 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AATMHTTPOLB
SCHEMBL3531657 0.77 KMT2A (0.50) ALDH1A1KMT2AATMHTTPOLB

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 690/4885KMT2A 2512/4885ATM 3937/4885

“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.