SCHEMBL5786183

SCHEMBL5786183

COc1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HTT P42858 1/20 0.57
POLB P06746 1/20 0.51
KMT2A Q03164 8/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 7/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
GAA P10253 2/20 0.46
TXNRD1 Q16881 3/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 1/20 0.45
GFER P55789 1/20 0.45
PAX8 Q06710 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3528954 0.83 HTT (0.53) ALDH1A1HTTPOLBKMT2AATM
SCHEMBL21437352 0.82 KEAP1 (0.62) ALDH1A1HTTKMT2AATMMEN1
SCHEMBL3531624 0.80 HTT (0.60) ALDH1A1HTTPOLBKMT2AATM
SCHEMBL3535128 0.80 HTT (0.60) ALDH1A1HTTPOLBKMT2AATM
SCHEMBL14469518 0.79 ALDH1A1 (0.58) ALDH1A1HTTPOLBKMT2AATM
SCHEMBL3531724 0.79 ALDH1A1 (0.50) ALDH1A1HTTPOLBKMT2AATM
SCHEMBL4068758 0.78 HTT (0.58) ALDH1A1HTTPOLBKMT2AATM
SCHEMBL5783937 0.78 ALDH1A1 (0.48) ALDH1A1POLBRAB9AKEAP1NFE2L2
SCHEMBL27716526 0.77 HTT (0.58) ALDH1A1HTTPOLBKMT2AATM
SCHEMBL3105068 0.77 SMN1; SMN2 (0.51) ALDH1A1HTTKMT2AMEN1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509501-B1 1-(AMINOALKYL)-3-SULFONYLINDOLE AND -INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2006-12-20 EP disclosed
EP-1509501-A1 1-(AMINOALKYL)-3-SULFONYLINDOLE AND -INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2005-03-02 EP disclosed
US-6727246-B2 ENHANCEMENT OF COGNITION AND MEMORY IN HUMAN DISEASES SUCH AS ALZHEIMER'S WYETH 2004-04-27 US disclosed
US-20030232828-A1 1-(AMINOALKYL)-3-SULFONYLINDOLE AND-INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH 2003-12-18 US disclosed
WO-2003101962-A1 1-(AMINOALKYL)-3-SULFONYLINDOLE AND -INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-12-11 WO 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-20030232828-A1 1-(AMINOALKYL)-3-SULFONYLINDOLE AND-INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR3A, HTR5A ALDH1A1 633/4885HTT 461/4885POLB 4868/4885

“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.