SCHEMBL6554749

SCHEMBL6554749

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.59
PSEN2 P49810 4/20 0.59
APH1B Q8WW43 4/20 0.59
NCSTN Q92542 4/20 0.59
APH1A Q96BI3 4/20 0.59
PSENEN Q9NZ42 4/20 0.59
VCAM1 P19320 6/20 0.49
KIF18A Q8NI77 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALDH3A1 P30838 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 0.94 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL69171 0.94 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6555394 0.89 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
Toluene SCHEMBL27750047 0.85 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15638649 0.84 KIF18A (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15638651 0.83 KIF18A (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6828377 0.80 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6553206 0.80 ALDH1A1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6831183 0.79 C5AR1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6554759 0.79 POLB (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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 4 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 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 (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 PSEN1 2647/4885PSEN2 3366/4885APH1B 1681/4885

“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.