SCHEMBL6554759

SCHEMBL6554759

CCN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
CA9 Q16790 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
RORC P51449 1/20 0.45
LMNA P02545 2/20 0.44
S1PR4 O95977 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 3/20 0.44
VCAM1 P19320 1/20 0.44
TP53 P04637 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL29368302 0.86 PSEN1 (0.61) POLBMCOLN3PSEN1PSEN2APH1B
SCHEMBL69171 0.86 PSEN1 (0.61) POLBMCOLN3PSEN1PSEN2APH1B
SCHEMBL6554782 0.86 POLB (0.49) POLBCA9MCOLN3PSEN1PSEN2
SCHEMBL6828341 0.86 PSEN1 (0.52) POLBCA9PSEN1PSEN2APH1B
SCHEMBL6833212 0.84 ALDH1A1 (0.48) POLBCA9MCOLN3PSEN1PSEN2
SCHEMBL6553571 0.83 PSEN1 (0.46) POLBCA9MCOLN3PSEN1PSEN2
SCHEMBL6553197 0.81 POLB (0.51) POLBCA9MCOLN3ALDH1A1GAA
SCHEMBL6553122 0.80 POLB (0.56) POLBCA9MCOLN3ALDH1A1GAA
SCHEMBL6554749 0.79 PSEN1 (0.59) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL6555483 0.79 ALDH1A1 (0.50) POLBALDH1A1GAALMNAS1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1174028-B1 SULFONAMIDE DERIVATIVES SUMITOMO CHEM TAKEDA AGRO CO (JP) 2004-12-22 EP claimed
US-20040067853-A1 Sulfonamide derivative-containing agricultural and horticultural composition NAKAYAMA MASAHARU (JP) 2004-04-08 US claimed
US-20040023938-A1 Sulfonamide derivatives TABUCHI TAKANORI (JP) 2004-02-05 US claimed
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 claimed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 EP claimed
EP-1174028-B1 SULFONAMIDE DERIVATIVES SUMITOMO CHEM TAKEDA AGRO CO (JP) 2004-12-22 EP disclosed
US-20040067853-A1 Sulfonamide derivative-containing agricultural and horticultural composition NAKAYAMA MASAHARU (JP) 2004-04-08 US disclosed
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 (2 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-20040067853-A1 Sulfonamide derivative-containing agricultural and horticultural composition NAT1, NR4A1, MRM1 POLB 3717/4885CA9 3097/4885MCOLN3 4722/4885
US-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 POLB 3871/4885CA9 1535/4885MCOLN3 3672/4885

“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.