SCHEMBL3488511

SCHEMBL3488511

Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
VCAM1 P19320 1/20 0.46
CYP19A1 P11511 1/20 0.43
NR3C1 P04150 3/20 0.42
NR3C2 P08235 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH3A1 P30838 1/20 0.42
PGR P06401 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL3491958 0.84 KMT2A (0.54) ALDH1A1MAPTNR3C1NR3C2SMN1; SMN2
SCHEMBL3488988 0.81 MEN1 (0.50) ALDH1A1NR3C1NR3C2SMN1; SMN2CYP3A4
SCHEMBL3490963 0.81 KMT2A (0.50) ALDH1A1MAPTNR3C1NR3C2SMN1; SMN2
SCHEMBL3490784 0.81 HPGD (0.47) CA12ALDH1A1MAPTNR3C1NR3C2
SCHEMBL3489936 0.79 CA2 (0.54) CA12ALDH1A1VCAM1CYP19A1CYP3A4
SCHEMBL3490906 0.79 CA2 (0.53) NR3C1NR3C2SMN1; SMN2CYP3A4PGR
SCHEMBL3490825 0.78 CYP19A1 (0.56) ALDH1A1MAPTVCAM1CYP19A1CYP3A4
SCHEMBL9272679 0.78 NR3C1 (0.48) ALDH1A1MAPTNR3C1NR3C2SMN1; SMN2
SCHEMBL3489252 0.78 MEN1 (0.54) MAPTNR3C1NR3C2PGRMAPK1
SCHEMBL3491178 0.77 LMNA (0.52) CA12ALDH1A1VCAM1CYP19A1NR3C1

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 4883/4885ALDH1A1 2748/4885MAPT 2158/4885

“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.