SCHEMBL3489625

SCHEMBL3489625

O=C1N(Cc2ccccc2)c2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
ALDH1A1 P00352 2/20 0.40
ALDH2 P05091 2/20 0.40
ALDH3A1 P30838 2/20 0.40
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MAPT P10636 5/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
CTRC Q99895 1/20 0.37
CNR1 P21554 1/20 0.37
TP53 P04637 2/20 0.36
ACHE P22303 1/20 0.36
PGR P06401 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL3489133 0.93 F2 (0.42) CA12CA9ALDH1A1ALDH2ALDH3A1
SCHEMBL3489294 0.92 CA12 (0.43) CA12CA9ALDH1A1ALDH2ALDH3A1
SCHEMBL3489424 0.91 CA12 (0.46) CA12CA9ALDH1A1ALDH2ALDH3A1
SCHEMBL3490594 0.89 MAPT (0.47) CA12CA9ALDH1A1MAPTF2
SCHEMBL3489209 0.89 MAPT (0.38) CA12CA9ALDH1A1ALDH2ALDH3A1
SCHEMBL3491531 0.89 CA12 (0.43) CA12CA9ALDH1A1MAPTF2
SCHEMBL3489640 0.87 MAPT (0.50) ALDH1A1MAPTTP53
SCHEMBL3488952 0.87 CA12 (0.41) CA12ALDH1A1ALDH2ALDH3A1MAPT
SCHEMBL3489926 0.86 MAPT (0.38) CA12CA9ALDH1A1ALDH2ALDH3A1
SCHEMBL3488978 0.86 HTT (0.46) ALDH1A1CHRM5MAPTCMA1TP53

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 1 patent. 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 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 CA12 4883/4885CA9 4884/4885ALDH1A1 2748/4885

“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.