SCHEMBL6553128

SCHEMBL6553128

CCN(c1ccc(C#N)cc1C#N)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.53
HCRTR1 O43613 1/20 0.49
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
RORC P51449 5/20 0.46
GLA P06280 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KDM1A O60341 8/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 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
SCHEMBL6828361 0.86 PSEN1 (0.52) HCRTR2PSEN1PSEN2APH1BNCSTN
SCHEMBL6555278 0.86 PSEN1 (0.61) HCRTR2HCRTR1PSEN1PSEN2APH1B
SCHEMBL6831693 0.84 ALDH1A1 (0.48) HCRTR2HCRTR1PSEN1PSEN2APH1B
SCHEMBL6553571 0.83 PSEN1 (0.46) HCRTR2HCRTR1PSEN1PSEN2APH1B
SCHEMBL6553328 0.81 GLA (0.41) HCRTR2HCRTR1PSEN1PSEN2APH1B
SCHEMBL6828511 0.80 HCRTR2 (0.73) HCRTR2RORCKEAP1NFE2L2KDM1A
SCHEMBL6553169 0.77 ESR1 (0.40) HCRTR2HCRTR1
SCHEMBL29078842 0.72 C5AR1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30582418 0.72 C5AR1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6555394 0.70 PSEN1 (0.48) HCRTR2PSEN1PSEN2APH1BNCSTN

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 HCRTR2 316/4885HCRTR1 148/4885PSEN1 2113/4885
US-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 HCRTR2 411/4885HCRTR1 263/4885PSEN1 2647/4885

“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.