SCHEMBL3529355

SCHEMBL3529355

O=[N+]([O-])c1ccc(C2OCCO2)cc1CS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
ALDH1A1 P00352 8/20 0.42
KMT2A Q03164 5/20 0.35
POLB P06746 2/20 0.35
ATM Q13315 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPY5R Q15761 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 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
SCHEMBL3534757 0.80 ALDH1A1 (0.43) HTTALDH1A1KMT2APOLBATM
SCHEMBL1814309 0.80 ALDH1A1 (0.43) HTTALDH1A1KMT2APOLBATM
SCHEMBL4635823 0.79 ALDH1A1 (0.54) ALDH1A1KMT2APOLBATMTDP1
SCHEMBL3531827 0.78 ALDH1A1 (0.42) HTTALDH1A1KMT2APOLBCYP2D6
SCHEMBL4635963 0.74 HTT (0.39) HTTALDH1A1KMT2APOLBATM
SCHEMBL3531657 0.74 KMT2A (0.50) HTTALDH1A1KMT2APOLBATM
SCHEMBL3538669 0.74 HTT (0.39) HTTALDH1A1KMT2APOLBATM
SCHEMBL3532841 0.73 HTT (0.38) HTTALDH1A1KMT2APOLBNPY5R
SCHEMBL4635932 0.73 MAPT (0.44) HTTALDH1A1KMT2APOLBATM
SCHEMBL3531473 0.73 HTT (0.38) HTTALDH1A1KMT2APOLBATM

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
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO 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 HTT 465/4885ALDH1A1 690/4885KMT2A 2512/4885

“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.