SCHEMBL8424307

SCHEMBL8424307

O=[N+]([O-])c1ccc(CCO)cc1CS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
ALDH1A1 P00352 6/20 0.54
POLB P06746 1/20 0.53
KMT2A Q03164 7/20 0.52
ATM Q13315 1/20 0.52
MEN1 O00255 6/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 3/20 0.46
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4635694 0.84 POLB (0.51) HTTALDH1A1POLBKMT2AATM
SCHEMBL4635689 0.84 POLB (0.51) HTTALDH1A1POLBKMT2AATM
SCHEMBL27716526 0.84 HTT (0.58) HTTALDH1A1POLBKMT2AATM
SCHEMBL4690202 0.83 KMT2A (0.51) HTTALDH1A1POLBKMT2AATM
SCHEMBL4690208 0.83 KMT2A (0.51) HTTALDH1A1POLBKMT2AATM
SCHEMBL4691091 0.81 KMT2A (0.49) HTTALDH1A1POLBKMT2AATM
SCHEMBL3534536 0.80 KMT2A (0.48) HTTALDH1A1POLBKMT2AATM
SCHEMBL3528954 0.79 HTT (0.53) HTTALDH1A1POLBKMT2AATM
SCHEMBL3531624 0.79 HTT (0.60) HTTALDH1A1POLBKMT2AATM
SCHEMBL3535128 0.79 HTT (0.60) HTTALDH1A1POLBKMT2AATM

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 HTT 465/4885ALDH1A1 690/4885POLB 4326/4885

“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.