SCHEMBL6831322

SCHEMBL6831322

Cc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2[N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 2/20 0.69
POLB P06746 2/20 0.69
C5AR1 P21730 3/20 0.55
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.45
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40
VCAM1 P19320 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 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
SCHEMBL6833310 0.84 MCOLN3 (0.69) MCOLN3POLBC5AR1HTTALDH1A1
SCHEMBL6828362 0.84 MCOLN3 (0.69) MCOLN3POLBC5AR1HTTALDH1A1
SCHEMBL6831194 0.84 MCOLN3 (0.69) MCOLN3POLBC5AR1HTTALDH1A1
SCHEMBL12491825 0.81 CYP19A1 (0.52) MCOLN3POLBHTTALDH1A1KDM4E
SCHEMBL6831970 0.80 C5AR1 (0.71) MCOLN3POLBC5AR1HTTALDH1A1
SCHEMBL9500169 0.78 MCOLN3 (0.58) MCOLN3POLBC5AR1HTTALDH1A1
SCHEMBL6831254 0.77 MCOLN3 (0.73) MCOLN3POLBC5AR1HTTALDH1A1
SCHEMBL6831307 0.77 MCOLN3 (0.77) MCOLN3POLBC5AR1HTTALDH1A1
SCHEMBL30018445 0.76 ALDH1A1 (0.58) POLBHTTALDH1A1KDM4EMAPT
SCHEMBL6506822 0.76 ALDH1A1 (0.58) POLBHTTALDH1A1KDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023938-A1 Sulfonamide derivatives TABUCHI TAKANORI (JP) 2004-02-05 US disclosed
US-6586617-B1 Nontoxic microbiocides such as 4'-chloro-N-ethyl-2'-nitro-p-toluenesulfonanilide, for agricultural or horticultural, prepared by alkylation or nitration SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2003-07-01 US disclosed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 EP 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-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 MCOLN3 3672/4885POLB 3871/4885C5AR1 822/4885

“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.