SCHEMBL3489161

SCHEMBL3489161

O=C1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 1/20 0.46
RAB9A P51151 1/20 0.42
MDM2 Q00987 8/20 0.41
GFER P55789 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3491447 0.89 CA12 (0.51) CA12CA9RAB9AMDM2ALDH1A1
SCHEMBL3490935 0.83 CA12 (0.42) CA12CA9
SCHEMBL3490831 0.83 CA12 (0.42) CA12CA9CA1MAPT
SCHEMBL3490894 0.83 HTR6 (0.40)
SCHEMBL3488658 0.82 CA12 (0.41) CA12CA9
SCHEMBL3489924 0.81 CA12 (0.49) CA12CA9RAB9AALDH1A1MAPT
SCHEMBL3490938 0.80 HTR6 (0.44) ALDH1A1MAPT
SCHEMBL3489940 0.80 CA12 (0.45) CA12CA9MDM2MAPT
SCHEMBL3491791 0.79 MAPT (0.43) MAPTCYP2C9CYP2C19
SCHEMBL3491529 0.76 HSD11B1 (0.40)

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 4884/4885CA1 4873/4885

“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.