SCHEMBL3490199

SCHEMBL3490199

O=C1N(Cc2ccccc2)c2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA2 P00918 1/20 0.50
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
CASP4 P49662 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43

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
SCHEMBL3489500 0.92 RAB9A (0.47) CA12CA9CA2ALDH1A1RAB9A
SCHEMBL3489133 0.87 F2 (0.42) CA12CA9ALDH1A1HTTLMNA
SCHEMBL3489640 0.86 MAPT (0.50) ALDH1A1HTTKDM4ELMNAMAPT
SCHEMBL3488477 0.86 CA12 (0.45) CA12CA9CA2ALDH1A1HPGD
SCHEMBL3490183 0.84 CA12 (0.45) CA12CA9CA2ALDH1A1RAB9A
SCHEMBL3489294 0.84 CA12 (0.43) CA12CA9ALDH1A1HTTLMNA
SCHEMBL3489424 0.83 CA12 (0.46) CA12CA9CA2ALDH1A1HTT
SCHEMBL3490169 0.83 CA12 (0.46) CA12CA9CA2LMNAPOLB
SCHEMBL3490467 0.83 MAPT (0.41) CA12CA9ALDH1A1HTTLMNA
SCHEMBL3488593 0.83 MAPT (0.47) CA12CA9ALDH1A1HTTKDM4E

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 4884/4885CA2 4878/4885

“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.