SCHEMBL3489232

SCHEMBL3489232

O=C1N(Cc2ccccc2)c2cc(Cl)cc(N3CCNCC3)c2S(=O)(=O)N1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 1/20 0.40
GSK3B P49841 5/20 0.40
HTR6 P50406 5/20 0.38
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
CASP4 P49662 1/20 0.35
CASP5 P51878 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
SCHEMBL3491688 0.90 CA12 (0.40) CA12CA9CA2GSK3BHTR6
SCHEMBL3488616 0.87 HTR6 (0.41) DPP4HTR6ALDH1A1MAPT
SCHEMBL3489858 0.87 HTR6 (0.45) DPP4HTR6MAPT
SCHEMBL3491532 0.86 HTR6 (0.42) DPP4CA12CA2GSK3BHTR6
SCHEMBL3489115 0.86 HTR6 (0.40) CA12HTR6ALDH1A1POLBMAPT
SCHEMBL3489512 0.86 HTR6 (0.40) CA12CA9HTR6LMNAGAA
SCHEMBL3490183 0.85 CA12 (0.45) CA12CA9CA2GSK3BALDH1A1
SCHEMBL3489947 0.84 HTR6 (0.41) CA12HTR6ALDH1A1LMNAMAPT
SCHEMBL3489321 0.84 HTR3E (0.43) HTR6ALDH1A1LMNAMAPT
SCHEMBL3489119 0.82 HTR6 (0.43) DPP4HTR6MAPT

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-20100035866-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIAZIN-3ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-02-11 US claimed
US-20100035866-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIAZIN-3ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-02-11 US disclosed
US-20100035866-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIAZIN-3ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-02-11 US disclosed
US-20100035866-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIAZIN-3ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-02-11 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-20100035866-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIAZIN-3ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME OPRD1, HTR6, HTR1D DPP4 3205/4885CA12 4883/4885CA9 4884/4885

“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.